VALERIA MOLINERO portrait
  • Jack and Peg Simons Endowed Professor of Theoretical Chemistry
  • Director, Henry Eyring Center for Theoretical Chemistry
  • Professor, Chemistry
  • Distinguished Professor, Chemistry
  • Distinguished Professor
801-585-9618

Publications

  • Debdas Dhabal, Rajat Kumar & Valeria Molinero (2024). Liquid-Liquid Transition in a Machine-Learned Coarse grained Water Model. chemrxiv. Published, 12/26/2024.
    https://chemrxiv.org/engage/chemrxiv/article-detai...
  • “Functional Aggregation of Cell-Free Proteins Enables Fungal Ice Nucleation”, R. Schwidetzky, I. de Almeida Ribeiro, N. Bothen, A. T. Backes, A. L. DeVries, M. Bonn, J. Fröhlich-Nowoisky, V. Molinero*, and K. Meister*, PNAS 120, e2303243120 (2023). Published, 11/09/2023.
  • “Multi-Stage Condensation Pathway Minimizes Hysteresis in Water Harvesting with Large-Pore Metal-Organic Frameworks”, A. Zaragoza, M. H. Factorovich, and V. Molinero*, Chemistry of Materials, 36, 708-719 (2024). Published, 08/21/2023.
  • “Nanobubble Stability and Formation on Solid-Liquid Interfaces in Open Environments”, E.D. Gadea*, V. Molinero, and D. A. Scherlis, Nano Letters, 23, 7206–7212 (2023). Published, 07/25/2023.
  • “Multi-Reward Reinforcement Learning Based Development of Inter-atomic Potential Models for Silica”, A. Koneru, H. Chan, S. Manna, T. D. Loeffler, D. Dhabal, A. A. Bertolazzo, V. Molinero*, and Subramanian KRS Sankaranarayanan*, npj Computational Materials, 9, 125 (2023). Published, 07/18/2023.
  • “Lichen species across Alaska produce highly active and stable ice nucleators”, R. J. Eufemio, I. de Almeida Ribeiro, T. Sformo, V. Molinero, J. Fröhlich-Nowoisky, M. Bonn, and K. Meister*, Biogeosciences, https://doi.org/10.5194/bg-2022-239 (2023). Published, 07/14/2023.
  • “HUB: A method to model and extract the distribution of ice nucleation temperatures from drop-freezing experiments”, I. de Almeida Ribeiro, K. Meister, and V. Molinero*, Atmos. Chem. Phys., Atmospheric Chemistry and Physics, 23, 5623–5639 (2023). Published, 05/22/2023.
  • “Kinetics and Mechanisms of Pressure-induced Ice Amorphization and Polyamorphism in a Machine-learned Coarse-Grained Water Model”, D. Dhabal and V. Molinero*, J. Phys. Chem. B 27, 2847–2862 (2023), (invited, special issue in honor of Pablo Debenedetti). Published, 03/15/2023.
  • “Post-Hydration Crosslinking of Ion Exchange Membranes to Control Water Content”, A. Barnett, J. J. Karnes, A. L. Clemens, J. S. Oakdale, and V. Molinero*, J. Phys. Chem. C, 127, 11, 5613–5621 (2023). Published, 03/13/2023.
  • “CEGANN: Crystal Edge Graph Attention Neural Network for multiscale classification of materials environment”, S. Banik, D. Dhabal, S. Manna, M. Cherukara, V. Molinero, S. K.R.S. Sankaranarayanan*, npj Computational Materials, 9 (2023), 23. Published, 02/16/2023.
  • “Oriented attachment kinetics for rod-like particles at a flat surface: Buffon’s needle at the nanoscale”, K. Kamat, P. Naullage, V. Molinero, and B. Peters*, J. Chem. Phys. 157 (2022) 214113. Published, 12/2022.
  • “HUB: A method to model and extract the distribution of ice nucleation temperatures from drop-freezing experiments”, I. de Almeida Ribeiro, K. Meister, and V. Molinero*, under review Atmos. Chem. Phys., Atmospheric Chemistry and Physics, deposited in chemrXiv 10.26434/chemrxiv-2022-ddzv8 (2022). Published, 11/2022.
  • “Stability and Metastability of Liquid Water in a Machine-Learned Coarse-Grained Model with Short-Ranged Interactions”, D. Dhabal, K.R.S. Sankaranarayanan, and V. Molinero*, J. Phys. Chem. B (invited, special issue in honor of Michael Berman) (2022) 126, 9881–9892. Published, 11/2022.
  • “Multi-Stage Condensation Pathway Minimizes Hysteresis in Water Harvesting with Large-Pore Metal-Organic Frameworks”, A. Zaragoza, M. H. Factorovich, and V. Molinero*, submitted to Chem. Mater, deposited in chemrXiv 10.26434/chemrxiv-2022-06264 (2022). Published, 09/2022.
  • “Exponential Water Uptake in Ionomer Membranes Results from Polymer Plasticization”, A. Barnett, J. Karnes, J. Lu, D. Major, J. Oakdale, K. N. Grew, J. P. McClure, V. Molinero*, Macromolecules, 55 (2022) 6762–6774. Published, 07/2022.
  • “AlphaFold2 models indicate that protein sequence determines both structure and dynamics” H-B Guo, A. Perminov , S. Bekele , G. Kedziora , S. Farajollahi , V. Varaljay , K. Hinkle , V. Molinero , K. Meister , C. Hung , P. Dennis , N. Kelley-Loughnane, R. Berry, Sci. Rep., 12 (2022) 10696. Published, 06/2022.
  • “What is the smallest zeolite that could be synthesized?” D. Dhabal, A. A. Bertolazzo, and V. Molinero*, Angew. Chem. 61 (2022), e202205095. Published, 05/2022.
  • “Unstable and Metastable Mesophases Can Assist in the Nucleation of Porous Crystals” A. A. Bertolazzo, D. Dhabal, and V. Molinero*, J. Phys. Chem. C, 126 (2022) 3776–3786. Published, 02/15/2022.
  • “Is It Possible to Follow the Structural Evolution of Water in “No-Man’s Land” Using a Pulsed Heating Procedure?” I. de Almeida Ribeiro, M. de Koning, and V. Molinero*, J. Phys. Chem. Lett.,13 (2022), 1085–1089. Published, 01/26/2022.
  • “Polymorph Selection in Zeolite Synthesis Occurs after Nucleation” A. A. Bertolazzo, D. Dhabal, and V. Molinero*, J. Phys. Chem. Lett. 13 (2022) 977−981. Published, 01/21/2022.
  • “Diffusion Attachment Model for Long Helical Antifreeze Proteins to Ice” K. Kamat, P. M. Naullage, V. Molinero, and B. Peters*, Biomacromolecules, https://doi.org/10.1021/acs.biomac.1c01247 (2021) (invited). Published, 12/20/2021.
  • “Width and Clustering of Ion-Conducting Channels in Fuel Cell Membranes are Insensitive to the Length of Ion Tethers” A. Barnett, J. Lu, and V. Molinero*, J. Phys. Chem. C, 125 (2021) 27693–27702. Published, 12/14/2021.
  • “Mechanism of Facilitation of Ion Mobility in Low Water Content Fuel Cell Membranes” A. Barnett, J. Lu, and V. Molinero*, J. Phys. Chem. C, 125 (2021) 27703–27713. Published, 12/08/2021.
  • “Coarse-grained Model for the Hydrothermal Synthesis of Zeolites”, D. Dhabal, A. Bertolazzo, and V. Molinero*, J. Phys. Chem. C, 125, 26857–26868 (2021). Published, 11/29/2021.
  • “Is ice nucleation by organic crystals non-classical? An assessment of the monolayer hypothesis of ice nucleation”, A. K. Metya and V. Molinero*, J. Am. Chem. Soc., 143 (2021) 4607-4624. Published, 03/2021.
  • “Computationally Efficient Approach for the Identification of Ice-Binding Surfaces and How They Bind to Ice”, P. M. Naullage, A. K. Metya, and V. Molinero*, J. Chem. Phys., 153, 174106 [invited, Feature Article]. Published, 11/03/2020.
  • “Electrochemically Generated Nanobubbles: Invariance of the Current with Respect to Electrode Size and Potential”, E. D. Gadea, Y. A. Perez Sirkin, V. Molinero*, and D. A. Scherlis*, J. Phys. Chem. Lett.11 (2020) 6573–6579. Published, 07/21/2020.
  • “Slow Propagation of Ice Binding Limits the Ice-Recrystallization Inhibition Efficiency of PVA and Other Flexible Polymers”, P. M. Naullage and V. Molinero*, J. Am. Chem. Soc. 142 (2020) 4356-4366. Published, 02/13/2020.
  • “The end of ice I”, D. R. Moberg, F. Zurheide, C. Dierking, D. Becker, B. Bandow, U. Buck, A. Hudait, V. Molinero*, F. Paesani*, and T. Zeuch*, Proc. Nac. Acad. Sci. 116 (2019), 24413-24419. Published, 12/03/2019.
  • “Can clathrates heterogeneously nucleate ice?”, M. Factorovich, P. M. Naullage, and V. Molinero*, under review in J. Chem. Phys. 151 (2019), 114707. Published, 09/20/2019.
  • “Mechanisms of Nucleation and Stationary States of Electrochemically Generated Nanobubbles”, Y. A. Perez Sirkin, E. Gadea, D. A. Scherlis, V. Molinero*, J. Am. Chem. Soc. 141 (2019) 10801-10811. Published, 06/13/2019.
  • “Hydrogen-bonding and Hydrophobic Groups Contribute Equally to the Binding of Hyperactive Antifreeze and Ice-Nucleating Proteins to Ice”, A. Hudait, Y. Qiu, N. Odendahl, and V. Molinero*, J. Am. Chem. Soc. 141 (2019) 7887–7898. Published, 04/25/2019.
  • “Following the nucleation pathway from disordered liquid to gyroid mesophase”, M. Marriott, L. Lupi, A. Kumar, and V. Molinero*, J. Chem. Phys. 150 (2019), 164902. Published, 04/24/2019.
  • “Pore condensation and freezing is responsible for ice formation below water saturation for porous particles”, R. O. David,* C. Marcolli, J. Fahrni, Y. Qiu, Y. A. Perez Sirkin, V. Molinero, F. Mahrt, D. Brühwiler, U. Lohmann, and Z. A. Kanji*, Proc. Nat. Acad. Sci., 116 (2019), 8184-8189. Published, 04/23/2019.
  • “How Size and Aggregation of Ice-Binding Proteins Control Their Ice Nucleation Efficiency”, Y. Qiu, A. Hudait, and V. Molinero*, J. Am. Chem. Soc. 141 (2019), 7439–7452. Published, 04/12/2019.
  • “Effect of polymer architecture on the nanophase segregation, ionic conductivity, and electro-osmotic drag of anion exchange membranes”, J. Lu, A. Barnett, and V. Molinero*, J. Phys. Chem. C. 123 (2019) 8717–8726. Published, 03/21/2019.
  • “How do surfactants control the agglomeration of clathrate hydrates?” P. M. Naullage, A. A. Bertolazzo, and V. Molinero*, ACS Central Science, 5 (2019), 428–439. Published, 02/15/2019.
  • “Assembly of zeolitic crystals from a model of mesogenic patchy nanoparticles.”, A. Kumar, M. Zare, and V. Molinero*, J. Phys. Chem. C, 123 (2019), 971–978. Published, 12/12/2018.
  • “Multiscale Modeling of Structure, Transport, and Reactivity in Alkaline Fuel Cell Membranes: Combined Coarse-Grained, Atomistic, and Reactive Molecular Dynamics Simulations”, D. Dong, W. Zhang, A. Barnett, J. Lu, A. C. T. van Duin, V. Molinero, and D. Bedrov*, Polymers 10 (2018), 1289 [invited]. Published, 11/20/2018.
  • “Could mesophases play a role in the nucleation and polymorph selection of zeolites?”, A. Kumar, A. H. Nguyen, R. Okumu, T. D. Shepherd, and V. Molinero*, J. Am. Chem. Soc. 140 (2018), 16071–16086. Published, 10/31/2018.
  • “Ice nucleation by particles containing long-chain fatty acids of relevance to freezing by sea spray aerosols”, P. J. DeMott*, R. H. Mason, C. S. McCluskey, T. C. J. Hill, R. J. Perkins, A. K. Bertram, O. Laskina, J. V. Trueblood, V. H. Grassian, Y. Qiu, V. Molinero, Y. Tobo, C. M. Sultana, C. Lee, and K. A. Prather, Environmental Science: Processes & Impacts 20 (2018), 1559-1569 [invited]. Published, 10/26/2018.
  • “Two-Step to One-Step Nucleation of a Zeolite throughout a Metastable Gyroid Mesophase”, A. Kumar and V. Molinero*, J. Phys. Chem. Lett 9. (2018) 5692–5697. Published, 09/08/2018.
  • “Why Is It So Difficult to Identify the Onset of Ice Premelting?”, Y. Qiu, and V. Molinero*, J. Phys. Chem. Lett. 9 (2018) 5179-5182. Published, 08/27/2018.
  • “Ice-liquid oscillations in nanoconfined water”, N. Kastelowitz and V. Molinero*, ACS Nano 12 (2018) 8234-8239. Published, 07/19/2018.
  • “Preordering of water is not needed for ice recognition by hyperactive antifreeze proteins”, A. Hudait, D. Moberg, N. Odendahl, F. Paesani*, and V. Molinero*, Proc. Nat. Acad. Sci.115 (2018) 8266-8271. Published, 07/09/2018.
  • “The clathrate-water interface is oleophilic” A. A. Bertolazzo, P. M. Naullage, B. Peters, and V. Molinero*, J. Chem. Phys. Lett. 9 (2018), 3224–3231. Published, 05/29/2018.
  • “Why is gyroid more difficult to nucleate from disordered liquids than lamellar and hexagonal mesophases?” A. Kumar and V. Molinero*, J. Phys. Chem. B, 122 (2018) 4758–4770. Published, 04/05/2018.
  • "Ice-nucleating and Antifreeze Proteins Recognize Ice Through a Diversity of Anchored Clathrate and Ice-Like Motifs”, A. Hudait, N. Odendahl, Y. Qiu, F. Paesani, and V. Molinero*, J. Am. Chem. Soc. 140 (2018) 4905–4912. Published, 03/22/2018.
  • “What Controls the Limit of Supercooling and Superheating of Pinned Ice Surfaces?”, P. M. Naullage, Y. Qiu, and V. Molinero*, J. Phys. Chem. Lett. 9 (2018), 1712–1720. Published, 03/15/2018.
  • “Comparison of Liquid-State Anomalies in Stillinger-Weber Models of Water, Silicon, and Germanium” D. Dhabal, C. Chakravarty, V. Molinero, and H. K. Kashyap, J. Chem. Phys., 145 (2016), 214502. Published, 12/01/2016.
    http://aip.scitation.org/doi/full/10.1063/1.496793...
  • “Pre-ordering of interfacial water in the pathway of heterogeneous ice nucleation does not lead to a two-step crystallization mechanism” L. Lupi, B. Peters, and V. Molinero, J. Phys. Chem, 145 (2016), 211910 [invited]. Published, 12/01/2016.
    http://aip.scitation.org/doi/full/10.1063/1.496165...
  • “What determines the ice polymorph in clouds?” A. Hudait and V. Molinero, J. Am. Chem. Soc., 138 (2016), 8958–8967. Published, 06/29/2016.
    http://pubs.acs.org/doi/abs/10.1021/jacs.6b05227
  • “Relationship between the line of density anomaly and the lines of melting, crystallization, cavitation and liquid spinodal in coarse-grained water models”, J. Lu, C. Chakravarty, and V. Molinero, J. Chem. Phys. 144 (2016) 234507. Published, 06/01/2016.
    http://aip.scitation.org/doi/full/10.1063/1.495385...
  • “Vapor pressure of aqueous solutions of electrolytes reproduced with coarse-grained models without electrostatics,” Y. Perez-Sirkin, M. Factorovich, V. Molinero, and D. A. Scherlis, J. Chem. Theory and Comp, 12 (2016), 2942–2949. Published, 05/19/2016.
    http://pubs.acs.org/doi/abs/10.1021/acs.jctc.6b002...
  • “Modeling molecular interactions in water: From pairwise to many-body potential energy functions" G. A. Cisneros, K. T. Wikfeldt, L. Ojamäe, J. Lu, Y. Xu, H. Torabifard, A. P. Bartók-Pártay, G. Csányi, V. Molinero, F. Paesani, Chemical Reviews, 116 (2016) 7501–7528. Published, 05/17/2016.
    http://pubs.acs.org/doi/abs/10.1021/acs.chemrev.5b...
  • “Free Energy Contributions and Structural Characterization of Stacking Disordered Ices,” A. Hudait, S. Qiu, L. Lupi, and V. Molinero, Phys. Chem. Chem. Phys. 18 (2016), 9544 – 9553. Published, 03/04/2016.
    http://pubs.rsc.org/en/content/articlelanding/2016...
  • Malkin, Tamsin L., Molinero, Valeria, Pickering, Steven J., Salzmann, Christoph G., Whale, Thomas F. & Murray, Benjamin J. (2015). Stacking disorder in ice I. Royal Society of Chemistry (RSC). Vol. 17(1), 60-76. Published, 2015.
  • Excess Entropy and Crystallization in Stillinger-Weber and Lennard-Jones Fluids D. Dhabal, A. H. Nguyen, M. Singh, P. Khatua, V. Molinero, S. Bandyopadhyay and C. Chakravarty, J. Chem. Phys. 143 (2015) 164512. Published, 11/29/2015.
    http://scitation.aip.org/content/aip/journal/jcp/1...
  • Water-like Anomalies and Phase Behavior of a Pair Potential that Stabilizes Diamond A. A. Bertolazzo, A. Kumar, C. Chakravarty, and V. Molinero, J. Phys. Chem. B 120 (2016), 1649–1659. Published, 10/01/2015.
    http://pubs.acs.org/doi/abs/10.1021/acs.jpcb.5b084...
  • "Hydrogen-bond Heterogeneity Boosts Hydrophobicity of Solid Interfaces" M. H. Factorovich, V. Molinero, and D. A. Scherlis, J. Am. Chem. Soc. 137 (2015), 10618-10623. Published, 08/04/2015.
    http://pubs.acs.org/doi/abs/10.1021/jacs.5b05242
  • "Morphology of Liquid-liquid Phase Separated Aerosols", Y. Qiu and V. Molinero J. Am. Chem. Soc. 137 (2015), 10642-10651. Published, 07/06/2015.
    http://pubs.acs.org/doi/abs/10.1021/jacs.5b05579
  • "Identification of Clathrate Hydrates, Hexagonal Ice, Cubic Ice, and Liquid Water in Simulations: The CHILL+ Algorithm.", A. H. Nguyen and V. Molinero, J. Phys. Chem. B. 119 (2015) 9369-9376. Published, 07/01/2015.
    http://pubs.acs.org/doi/abs/10.1021/jp510289t
  • "Structure of the ice-clathrate interface", A. H. Nguyen, M. A. Koc, T. D. Shepherd, and V. Molinero , J. Phys. Chem. C. 119 (2015) 4104-4117. Published, 01/25/2015.
    http://pubs.acs.org/doi/abs/10.1021/jp511749q
  • Stacking disorder in ice I, T. L. Malkin, B. J. Murray, C. Salzmann, V. Molinero, S. J. Pickering, and T. F. Whale, Phys. Chem. Chem. Phys. 17 (2015) 60-76. Published, 01/06/2015.
    http://pubs.rsc.org/en/content/articlelanding/2014...
  • “Vapor deposition of water on graphitic surfaces: formation of amorphous ice, bilayer ice, ice I and liquid water”, L. Lupi, N. Kastelowitz and V. Molinero*, J. Chem. Phys. 141 (2014) 18C508 [invited]. Published, 01/2014.
  • “Can Guest Occupancy in Binary Clathrate Hydrates be Tuned Through Control of the Growth Temperature? B. Song, A. Nguyen, and V. Molinero*, J. Phys. Chem. C (2014) 118 (2014) 23022–23031. Published, 01/2014.
  • “Coarse-graining of TIP4P/2005, TIP4P/Ew, SPC/E and TIP3P water into monatomic anisotropic water models using relative entropy minimization”, J. Lu, Y. Qiu, R. Baron* and V. Molinero*, J. Chem. Theory and Comp. 10 (2014), 4104–4120. Published, 01/2014.
  • “Sorption isotherms of water in nanopores: on the relation between hydropohobicity, adsorption pressure, and hysteresis”, M. Factorovich, E. Gonzalez Solveyra, V. Molinero, and D. A. Scherlis*, J. Phys. Chem. C, 118 (2014), 16290–16300. Published, 01/2014.
  • “How short is too short for the interactions of a water potential? Exploring the parameter space of a coarse-grained water model using Uncertainty Quantification”, L. C. Jacobson, R. M. Kirby, V. Molinero, J. Phys. Chem. B 118 (2014) 8190-8202 [invited]. Published, 01/2014.
  • “Identification of clathrate hydrates, hexagonal ice, cubic ice, and liquid water in simulations: the CHILL+ algorithm”, A. H. Nguyen and V. Molinero*, J. Phys. Chem. B (2014), DOI: 10.1021/jp510289t [invited]. Published, 01/2014.
  • “Stacking Disorder in Ice I”, T. L. Malkin, B. J. Murray*, C. G. Salzmann, V. Molinero, S. J. Pickering, and T. F. Whale, Phys. Chem. Chem. Phys, 17 (2014) 60-76 [invited Perspective]. Published, 01/2014.
  • “Vapor pressure of water nanodroplets”, M. Factorovich, V. Molinero, and D. A. Scherlis*, J. Am. Chem. Soc., 136 (2014) 4508-4514. Published, 01/2014.
  • “Competing Pair and Triplet Correlations in the transition from simple to tetrahedral liquids”, M. Singh, D. Dhabas, A. H. Nguyen, V. Molinero, C. Chakravarty, Phys. Rev. Lett. 112 (2014) 147801. Published, 01/2014.
  • “Ice Crystallization in Ultrafine Water-Salt Aerosols: Nucleation, Ice-Solution Equilibrium and Internal Structure”, A. Hudait and V. Molinero*, J. Am. Chem. Soc. 136 (2014) 8081–8093. Published, 01/2014.
  • “Does Hydrophilicity of Carbon Particles Improve their Ice Nucleation Ability?”, L. Lupi and V. Molinero*, J. Phys. Chem. A, 118 (2014), 7330-7337 [invited]. Published, 01/2014.
  • “Assessing the effects of crowding, pore size and interactions on electro-osmotic drag coefficients”, L. C. Jacobson, X. Ren and V. Molinero*, J. Phys. Chem. C 118 (2014), 2093–2103. Published, 01/2014.
  • “Cross-Nucleation between Clathrate Polymorphs: assessing the role of stability, growth rate and structure matching”, A. Nguyen and V. Molinero*, J. Chem. Phys. 140 (2014) 084506. Published, 01/2014.
  • A simple grand canonical approach to compute the vapor pressure of bulk and finite size systems”, M. Factorovich, V. Molinero, and D. A. Scherlis*, J. Chem. Phys. 140, (2014) 064111. Published, 01/2014.
  • “Thermodynamic and structural signatures of water-driven methane-methane attraction in coarse-grained mW water”, B. Song and V. Molinero*, J. Chem. Phys., 139 (2013) 054511. Published, 08/2013.
  • Anisimov et al. “General Discussion”, Faraday Discuss., 167 (2013) 239-262. Published, 08/2013.
  • Molinero et al, “General Discussion”, Faraday Discuss.,167 (2013) 109-. Published, 08/2013.
  • Molinero et al. “General Discussion”, Faraday Discuss., 167 (20130 601-623. Published, 08/2013.
  • Chandler et al. “General Discussion”, Faraday Discuss.,167 (2013) 455-483. Published, 08/2013.
  • Stability and metastability of bromine clathrate polymorphs”, A. H. Nguyen and V. Molinero*, J. Phys. Chem. B, 117 (2013), 6330-6338. Published, 05/2013.
  • “Low-density liquid water is the mother of ice: on the relation between mesostructure, thermodynamics and ice crystallization in solutions”, G. Bullock and V. Molinero*, Faraday Discussions, 167 (2013), 371 - 388 [invited]. Published, 05/2013.
  • “Nature of the anomalies in the supercooled liquid state of the mW model of water”, V. Holten, D. T. Limmer, V. Molinero and M. A. Anisimov*, J. Chem. Phys., 138 (2013), 174501. Published, 04/2013.
  • “Structure, dynamics and phase behavior of water in TiO2 nanopores”, E. Gonzalez Solveyra, E. de la Llave, V. Molinero, G. Soler-Illia, D. A. Scherlis*, J. Phys. Chem. C (2013) DOI: 10.1021/jp307900q. Published, 03/2013.
  • What determines the homogeneous freezing temperature of water?” V. Molinero, AIP Conf. Proc. 1527, 83-88; doi:http://dx.doi.org/10.1063/1.4803209. NUCLEATION AND ATMOSPHERIC AEROSOLS: 19th International Conference, (2013). Published, 03/2013.
  • “Homogeneous nucleation of methane hydrates: unrealistic at realistic conditions”, B. C. Knott, V. Molinero, M. F. Doherty and B. Peters*, J. Am. Chem. Soc., 134 (2012), 19544–19547. Published, 11/2012.
    http://pubs.acs.org/doi/abs/10.1021/ja309117d?jour...
  • “Structural transformation in supercooled water controls the crystallization rate of ice” V. Molinero, Symposium on Kinetics and Mechanism in the Earth’s Atmosphere, 244th ACS National Meeting, Philadelphia, PA,. Published, 08/2012.
  • Crystallization of Water: from the Bulk to the Nanoscale” V. Molinero, Beckman Young Investigators Symposium, Newport Beach, CA,. Published, 08/2012.
  • “If water and methane do not mix, how do they form clathrate hydrates?”, V. Molinero, Gordon Conference on Water and Aqueous Solutions, Plymouth, New Hampshire,. Published, 08/2012.
  • “Structure of the clathrate/solution interface and mechanisms of cross-nucleation of clathrate hydrates”, A. H. Nguyen, L. C. Jacobson and V. Molinero*, J. Phys. Chem. C, 116 (2012), 19828–19838. Published, 08/2012.
    http://pubs.acs.org/doi/abs/10.1021/jp305468s?jour...
  • “The ice-clathrate and ice-methane interface and their roles in the nucleation of and growth of clathrates from ice” V. Molinero, Workshop on the Microscopic Description of Gas Clathrate, Telluride, CO,. Published, 07/2012.
  • “If water and methane do not mix, how do they form clathrate hydrates?” V. Molinero, 11th Annual MERCURY Conference on Undergraduate Computational Chemistry, Bucknell University, Lewisburg, PA,. Published, 07/2012.
  • “Water and Other Tetrahedral Liquids: Order, Anomalies and Solvation”, B. S. Jabes, D. Nayar, D. Dhabal, V. Molinero* and C. Chakravarty*, J. Phys. Cond. Matt., 24 (2012) 284116. Published, 07/2012.
    http://iopscience.iop.org/0953-8984/24/28
  • Capturing hydrophobic hydration in a coarse-grained model of water” V. Molinero, Workshop Hydrophobicity: from Theory, to Simulation to Experiment, Telluride, CO,. Published, 06/2012.
  • “Water-Driven Cavity-Ligand Binding: Comparison of Thermodynamic Signatures from Coarse-Grained and Atomic-Level Simulations”, R. Baron* and V. Molinero*, J. Chem. Theory and Comp. 8 (2012), 3696–3704 [invited]. Published, 06/2012.
    http://pubs.acs.org/doi/abs/10.1021/ct300121r?jour...
  • “The quasi-liquid layer of ice under conditions of methane clathrate formation”, T. D. Shepherd, M. A. Koc and V. Molinero*, J. Phys. Chem. C, DOI: 10.1021/jp303605t. Published, 05/2012.
    http://pubs.acs.org/doi/abs/10.1021/jp303605t
  • “Crystallization, Melting and Structure of Water Nanodroplets at Atmospherically Relevant Temperatures”, J. C. Johnston and V. Molinero*, J. Am. Chem. Soc. 134 (2012), 6650-6659. Published, 03/2012.
    http://pubs.acs.org/doi/abs/10.1021/ja210878c?jour...
  • Liquid-ice coexistence below the melting temperature for water confined in hydrophilic and hydrophobic nanopores”, E. B. Moore, J. T. Allen and V. Molinero*, J. Chem. Phys. C., 116, 7507-7414 (2012). Published, 03/2012.
    http://pubs.acs.org/doi/abs/10.1021/jp3012409
  • “Role of Confinement and Surface Affinity on Filling Mechanisms and Sorption Hysteresis in Nanopores”, E. de la Llave, V. Molinero* and D. A. Scherlis*, J. Phys. Chem. C., 116 (2012) 1833–1840. Published, 01/2012.
    http://pubs.acs.org/doi/abs/10.1021/jp206580z?jour...
  • “Role of Confinement and Water-Surface Affinity on Filling Mechanisms and Sorption Hysteresis in Nanopores”, E. de la Llave, V. Molinero* and D. A. Scherlis*, J. Phys. Chem. C., 116 (2012) 1833–1840. Published, 12/2011.
    http://pubs.acs.org/doi/pdf/10.1021/jp206580z
  • . “Water and Other Tetrahedral Liquids: Order, Anomalies and Solvation”, B. S. Jabes, D. Nayar, D. Dhabal, V. Molinero and C. Chakravarty*, J. Phys. Cond. Matt., 24 (2012), 284116. Published, 12/2011.
  • “Role of Confinement and Surface Affinity on Filling Mechanisms and Sorption Hysteresis in Nanopores”, E. de la Llave, V. Molinero* and D. A. Scherlis*, J. Phys. Chem. C., 116 (2012) 1833–1840. Published, 12/2011.
    http://pubs.acs.org/doi/abs/10.1021/jp206580z
  • "Structural Transformation in Supercooled Water Controls the Crystallization Rate of Ice", E. B. Moore and V. Molinero*, Nature, 479 (2011), 506-508. Published, 11/2011.
    http://www.nature.com/nature/journal/v479/n7374/fu...
  • “Is there a liquid-liquid transition in confined water?”, L. Xu* and V. Molinero*, J. Phys. Chem. B (2011), 115 (2011) 14210–14216 [invited]. Published, 09/2011.
    http://pubs.acs.org/doi/pdf/10.1021/jp205045k
  • “Is it cubic? Ice crystallization from deeply supercooled water”, E. B. Moore and V. Molinero*, Phys. Chem. Chem. Phys. 13 (2011), 20008-20016 [invited]. Published, 09/2011.
    http://pubs.rsc.org/en/content/articlepdf/2011/cp/...
  • “Order parameters for the multistep crystallization of clathrate hydrates”, L. C. Jacobson, M. Matsumoto and V. Molinero*, J. Chem. Phys., 135 (2011), 074501. • Cover article of J. Chem, Phys. 135 (7). Published, 08/2011.
    http://dx.doi.org/10.1063/1.3613667
  • “The Rise and Fall of Anomalies in Tetrahedral Liquids”, W. Hujo, B. S. Jabes, V. K. Rana, C. Chakravarty* and V. Molinero*, J. Stat. Phys. 145 (2011) 293 [invited]. Published, 08/2011.
  • “Melting and crystallization of ice in partially filled nanopores”, E. Gonzalez Solveyra, E. de la Llave, D. A. Scherlis and V. Molinero*, J. Phys. Chem. B., 115 (2011), 14196–14204 [invited]. Published, 08/2011.
    http://pubs.acs.org/doi/pdf/10.1021/jp205008w
  • “Nanophase Segregation in Supercooled Aqueous Solutions and their Glasses Driven by the Polyamorphism of Water”, Ly Le and V. Molinero*, J. Phys. Chem. A, 115 (2011), 5900–5907. Published, 06/2011.
    http://pubs.acs.org/doi/pdf/10.1021/jp1102065
  • Can Amorphous Nuclei Grow Crystalline Clathrates? The Size and Crystallinity of Critical Clathrate Nuclei”, J. C. Jacobson and V. Molinero*, JACS, 133, 6458-6463. Published, 04/2011.
    http://pubs.acs.org/doi/abs/10.1021/ja201403q
  • “A Single-Component Silicon Quasicrystal”, Jessica C. Johnston, Spencer Phippen and V. Molinero*, J. Phys. Chem. Lett., 2 (2011), 384-388. Published, 02/2011.
    http://pubs.acs.org/doi/abs/10.1021/jz101706k
  • “A Coarse-Grained Model of DNA with Explicit Solvation by Water and Ions”, R. C. DeMille, T.E. Cheatham III and V. Molinero*, J. Phys. Chem. B., 115 (2011), 132-142. Published, 01/2011.
    http://pubs.acs.org/doi/abs/10.1021/jp107028n
  • “Structural Study of Low Concentration LiCl Aqueous Solutions in the Liquid, Supercooled and Hyperquenched Glassy State”, K. Winkel, M. Seidl, T. Loerting, L. E. Bove, S. Imberti, V. Molinero, F. Bruni, R. Mancinelli and M. A. Ricci*, J. Chem. Phys, (2011), 134, 024515. Published, 01/2011.
    http://jcp.aip.org/resource/1/jcpsa6/v134/i2/p0245...
  • “Liquid to quasicrystal transition in bilayer water”, J. C. Johnston, N. Kastelowitz and V. Molinero*, J. Chem. Phys., 133 (2010), 154516. Published, 11/2010.
    http://jcp.aip.org/resource/1/jcpsa6/v133/i15/p154...
  • “Nucleation Pathways of Clathrate Hydrates: Effect of Guest Size and Hydrophilicity”, L. C. Jacobson, W. Hujo and V. Molinero*, J. Phys. Chem. B., 114 (2010), 13796–13807. Published, 09/2010.
    http://pubs.acs.org/doi/abs/10.1021/jp107269q
  • “Ice crystallization in water’s “no-man’s land””, E. B. Moore and V. Molinero*, J. Chem Phys., 132 (2010), 244504. Published, 08/2010.
    http://scitation.aip.org/getpdf/servlet/GetPDFServ...
  • “Amorphous Precursors in the Nucleation of Clathrate Hydrates”, L. C. Jacobson, W. Hujo and V. Molinero*, J. Am. Chem. Soc, 132 (2010), 11806–11811. Published, 08/2010.
    http://pubs.acs.org/doi/pdf/10.1021/ja1051445
  • “Water filling of hydrophilic nanopores”, E. de la Llave, V. Molinero* and D. A. Scherlis*, J. Chem. Phys., 133 (2010), 034513. Published, 08/2010.
    http://link.aip.org/getpdf/servlet/GetPDFServlet?f...
  • “The Anomalously High Melting Temperature of Bilayer Ice”, N. Kastelowitz, Jessica C. Johnston and V. Molinero*, J. Chem. Phys. 132 (2010), 124511. Published, 06/2010.
    http://scitation.aip.org/getpdf/servlet/GetPDFServ...
  • “A Methane-Water Model for Coarse-Grained Simulations of Solutions and Clathrate Hydrates”, L. Jacobson and V. Molinero*, J. Phys. Chem. B, 114 (2010), 7302-7311. Published, 05/2010.
    http://pubs.acs.org/doi/pdf/10.1021/jp1013576
  • “Liquid-vapor oscillations of water nanoconfined between hydrophobic disks: thermodynamics and kinetics”, L. Xu and V. Molinero*, J. Phys. Chem. B, 114 (2010), 7320-7328. Published, 05/2010.
    http://pubs.acs.org/doi/pdf/10.1021/jp102443m
  • “Freezing, Melting and Structure of Ice in a Hydrophilic Nanopore”, E.B. Moore, E. de la Llave, K. Welke, D. A. Scherlis and V. Molinero*, Phys. Chem. Chem. Phys. 12 (2010), 4124-4134. Published, 01/2010.
    http://pubs.rsc.org/en/Content/ArticlePDF/2010/CP/...
  • “Coarse-grained Ions Without Charges: Reproducing the Solvation Structure of NaCl in water using Short-Ranged Potentials”, R. DeMille and V. Molinero*, J. Chem. Phys. 131, (2009), 034107. Published, 07/2009.
    http://jcp.aip.org/resource/1/jcpsa6/v131/i3/p0341...
  • “Thermodynamic Stability And Growth Of Guest-Free Clathrate Hydrates, A Low-Density Crystal Phase Of Water”, L. C. Jacobson, W. Hujo and V. Molinero*, J. Phys. Chem. B. (2009), 113, 10298–10307. Published, 07/2009.
    http://pubs.acs.org/doi/abs/10.1021/jp903439a
  • “Growing correlation length in supercooled water”, E. B. Moore and V. Molinero*, J. Chem. Phys. 130, (2009), 244505. Published, 06/2009.
    http://scitation.aip.org/getpdf/servlet/GetPDFServ...
  • “Water modeled as an intermediate element between carbon and silicon”, V. Molinero*, E. B. Moore, J. Phys. Chem. B, 113 (2009), 4008. Published, 10/2008.
    http://pubs.acs.org/doi/pdf/10.1021/jp805227c
  • “Electron Microscopy Study of Germanium Glass Vitrified by High Pressure Melt-Quench”, V. C. Solomon , M. H, Bhat, V. Molinero, E. Soignard, , S. Sastry, J. L Yarger, and C. A. Angell. Microsc. Microanal., 14 Suppl 2 (2008), 1138-1139. Published, 08/2008.
    http://journals.cambridge.org/action/displayFullte...
  • “Vitrification of a monatomic metallic liquid”, M. H, Bhat, V. Molinero, E. Soignard, S. Sastry, J. L Yarger, and C. A. Angell. Nature, 448 (2007), 787-790. Published, 08/2007.
    http://www.nature.com/nature/journal/v448/n7155/fu...
  • “Tuning of tetrahedrality in a silicon potential yields a series of monatomic (metal-like) glassformers of very high fragility”, V. Molinero*, S. Sastry, and C. A. Angell. Phys. Rev. Lett., 97 (2006) 075701. Published, 08/2006.
    http://prl.aps.org/pdf/PRL/v97/i7/e075701
  • The path of water in fuel cell membranes”. V. Molinero, Helmholtz Award Lecture, IAPWS 2006 Proceedings, Santorini, Greece (2006). Published, 06/2006.
  • “Molecular modeling of carbohydrates with no charges, no hydrogen bonds and no atoms” V. Molinero, and W.A. Goddard III. In ACS Symposium Series No. 930, NMR Spectroscopy and Computer Modeling of Carbohydrates”, J.F.G.Vliegenthart and R. Woods Ed., ACS, Washington DC, 2006. Published, 03/2006.
    http://pubs.acs.org/doi/abs/10.1021/bk-2006-0930.c...
  • “Multi-paradigm multi-scale simulations for fuel cell catalysts and membranes” W. Goddard III, B. Merinov, A. van Duin, T. Jacib, M. Blanco, V. Molinero, S.S. Jang And Y.H. Jang. Molecular Simulations, 32 (2006) 251–268. Published, 03/2006.
    http://csdrm.caltech.edu/publications/cit-asci-tr/...
  • “Microscopic mechanism of water diffusion in glucose glasses” V. Molinero, and W.A. Goddard III. Phys. Rev. Lett., 95 (2005) 045701. Published, 07/2005.
    http://prl.aps.org/abstract/PRL/v95/i4/e045701
  • “Nanophase-Segregation and Water Dynamics in the Dendrion Diblock Copolymer Formed from Polyaryl Ethereal Dendrimer and Linear PTFE” S. S. Jang, S-T Lin, T. Cagin, V. Molinero, and W.A. Goddard III. J. Phys. Chem. B. 2005, 109, 10154-10167. Published, 04/2005.
    http://pubs.acs.org/doi/abs/10.1021/jp050125w
  • “Effect of monomeric sequence on nanostructure and water dynamics in Nafion 117” S. S. Jang, V. Molinero, T. Cagin, and W.A. Goddard III. Solid State Ionics, 2004, 175,805. Published, 11/2004.
    http://www.sciencedirect.com/science?_ob=ArticleUR...
  • “Fluorinated imidazoles as proton carriers for water-free fuel cell membranes" W. Deng, V. Molinero, and W.A. Goddard III. J. Am. Chem. Soc., 2004, 126, 15644-15645. Published, 11/2004.
    http://pubs.acs.org/doi/abs/10.1021/ja046999y
  • “Mechanisms of nonexponential relaxations in supercooled glucose solutions: the role of water facilitation" V. Molinero, T. Cagin and W.A. Goddard III. J. Phys. Chem. A 2004, 108, 3699 – 3712. Published, 04/2004.
    http://pubs.acs.org/doi/abs/10.1021/jp036680k
  • “Nanophase-segregation and transport in Nafion 117 from molecular dynamics simulations: effect of monomeric sequence” S. S. Jang, V. Molinero, T. Cagin, and W.A. Goddard III. J. Phys. Chem. B 2004, 108, 3149-3157. Published, 02/2004.
    http://pubs.acs.org/doi/pdf/10.1021/jp036842c
  • “M3B: a coarse grain force field for the simulation of oligosaccharides and their water mixtures" V. Molinero, and W.A. Goddard III. J. Phys. Chem. B 2004, 108, 1414-1427. Published, 01/2004.
    http://pubs.acs.org/doi/abs/10.1021/jp0354752
  • “Sugar, water and free-volume networks in concentrated sucrose solutions". V. Molinero, T. Cagin, and W.A. Goddard III. Chem. Phys. Lett. 2003, 377, 469-474. Published, 08/2003.
    http://www.sciencedirect.com/science?_ob=ArticleUR...
  • “Dynamics of solvation-induced structural transitions in mesoscopic binary clusters". V. Molinero, D. Laria, and R. Kapral. Phys. Rev. Lett. 2000, 84, 455-458. Published, 01/2000.
    http://prl.aps.org/abstract/PRL/v84/i3/p455_1
  • . “Mixing and segregation in binary polar-molecule clusters”. V. Molinero, D. Laria, and R. Kapral. J. Chem. Phys. 1998, 109, 6844-6853. Published, 09/1998.
    http://jcp.aip.org/resource/1/jcpsa6/v109/i16/p684...
  • “Electrostatic interactions at self assembled molecular films of charged thiols on gold”. V. Molinero, and E. J. Calvo. J. Electroanal. Chem. 1998, 17, 17-25. Published, 03/1998.
    http://www.sciencedirect.com/science?_ob=ArticleUR...

Research Statement

We use computer simulations and statistical mechanics methods to investigate the interplay between microscopic structure, dynamics and phase transformations.

Presentations

  • “TBA”, Department of Chemistry, University of Texas A&M, College Station, TX, May 2024. Invited Talk/Keynote, Accepted, 05/2024.
  • “TBA”, 024 AFOSR Molecular Dynamics/Theoretical Chemistry Program Review, Albuquerque, NM, May 2024. Invited Talk/Keynote, Accepted, 05/2024.
  • “Medium density amorphous ice”, WaterX: International Workshop on the Exotic Properties of Water Under Extreme Conditions, Sardinia, Italy, May 2024. Invited Talk/Keynote, Accepted, 05/2024.
  • “Molecular Recognition of Ice by Proteins: from Ice Nucleation to Antifreeze”, 2023-2024 J.W.T. Spinks Lecturer at the University of Saskatchewan, Saskatchewan, Canada, March 2024. Invited Talk/Keynote, Accepted, 03/2024.
  • “Towards Elucidating the Mechanisms of Synthesis of Zeolites”, 2023-2024 J.W.T. Spinks Lecturer at the University of Saskatchewan, Saskatchewan, Canada, March 2024. Invited Talk/Keynote, Accepted, 03/2024.
  • “Electrochemically Generated Nanobubbles”, Department of Chemical and Biological Engineering, Brigham Young University, Provo, Utah, November 2023. Invited Talk/Keynote, Presented, 11/2023.
  • “Towards Elucidating the Mechanisms of Synthesis of Zeolites”, DOE-BES Condensed Phase Interfacial Molecular Science Meeting, DC, November 2023. Invited Talk/Keynote, Presented, 11/2023.
  • “The most potent snowmakers”, Department of Chemistry, University of Illinois, Urbana, IL, October 2023. Invited Talk/Keynote, Presented, 10/2023.
  • “Elucidating the mechanisms of synthesis of zeolites using data science and molecular simulations”, Department of Chemical and Biological Engineering, University of Illinois, Urbana, IL, October 2023. Invited Talk/Keynote, Presented, 10/2023.
  • “The most potent snowmakers”, Air Force Research Laboratory, Layton, OH, October 2023. Invited Talk/Keynote, Presented, 10/2023.
  • “The most potent snowmakers”, Department of Chemistry, Boise State University, Boise, ID, September 2023. Invited Talk/Keynote, Presented, 09/2023.
  • “Elucidating the mechanisms of synthesis of zeolites using data science and molecular simulations”, Department of Chemistry, University of Texas A&M, College Station, TX, September 2023. Invited Talk/Keynote, Presented, 09/2023.
  • “Elucidating the mechanisms of synthesis of zeolites using data science and molecular simulations”, Gordon Conference on Nanoporous Materials and Their Applications, Andover, NH, August 2023. Invited Talk/Keynote, Presented, 08/2023.
  • “Electrochemically Generated Nanobubbles”, Gordon Conference on the Physics and Chemistry of Liquids, Plymouth, NH, August 2023. Invited Talk/Keynote, Presented, 08/2023.
  • “What is MDA?”, Symposium Liquids, Glasses, and Other Adventures in Thermodynamics and Statistical Mechanics, Princeton University, Princeton, NJ, June 2023. Invited Talk/Keynote, Presented, 06/2023.
  • “Molecular Recognition of Ice by Proteins: from Ice Nucleation to Antifreeze”, Seymour Rothchild Distinguished Lecturer, University of Rochester, May 2023. Invited Talk/Keynote, Presented, 05/2023.
  • “Elucidating the mechanisms of synthesis of zeolites using data science and molecular simulation”, Symposium Chemical Physics at the Middle Scales of Soft Matter, APS National Meeting, Las Vegas, NV, March 2023. Invited Talk/Keynote, Presented, 03/2023.
  • “Water, managing scarcity and abundance”, Science Philanthropy Alliance, Tucson, AZ, March 2023. Invited Talk/Keynote, Presented, 03/2023.
  • “The Most Potent Snow Makers”, Irving Langmuir Award Colloquium, APS National Meeting, Las Vegas, NV, March 2023. Invited Talk/Keynote, Presented, 03/2023.
  • “Molecular Recognition of Ice by Proteins: from Ice Nucleation to Antifreeze.” Association of Science and Technology, Utah, Salt Lake City, UT, December 2022. Invited Talk/Keynote, Presented, 12/2022.
  • “Ice binding proteins: from ice nucleation to antifreeze.” Colloquium at Stony Brook University, NY, December 2022. Invited Talk/Keynote, Presented, 12/2022.
  • “Transiciones y Transformaciones”, Colloquium on the award of Doctor Honoris Causa, Universidad de Buenos Aires, Buenos Aires, Argentina, December 2022. Invited Talk/Keynote, Presented, 12/2022.
  • “Ice binding proteins: from ice nucleation to antifreeze.” Seminar, Centre for Molecular Water Science, Hamburg, Germany, November 2022. Invited Talk/Keynote, Presented, 11/2022.
  • “Towards the elucidation of the mechanisms of synthesis of zeolites.” Colloquium, Department of Chemistry at Montana State University, MT, November 2022. Invited Talk/Keynote, Presented, 11/2022.
  • “Modelos Minimalistas de Agua”, Simposio de Modelado Multiescala para Biociencias y Nanomateriales en Argentina (SiModAr), Buenos Aires, Argentina (virtual), November 2022. Invited Talk/Keynote, Presented, 11/2022.
  • “Electrochemically Generated Nanobubbles.” Inaugural Simons Center Symposium, New York University, NY, October 2022. Invited Talk/Keynote, Presented, 10/2022.
  • “Molecular Recognition of Ice by Proteins: from Ice Nucleation to Antifreeze” Pauling Medal Symposium, Portland, Oregon, October 2022. Invited Talk/Keynote, Presented, 10/2022.
  • “Towards the elucidation of the mechanisms of synthesis of zeolites.” Colloquium, Department of Chemistry and Chemical Biology at Rutgers University, NJ, October 2022. Invited Talk/Keynote, Presented, 10/2022.
  • “Electrochemically Generated Nanobubbles.” Colloquium, Instituto de Física "Gleb Wataghin", Universidade Estadual de Campinas, Sao Paulo, Brazil (virtual), September 2022. Invited Talk/Keynote, Presented, 09/2022.
  • “Electrochemically Generated Nanobubbles", International Conference on Nanobubbles, Nanodroplets and their Applications, Nanobubble 2022, Magdeburg, Germany, September 2022 . Invited Talk/Keynote, Presented, 09/2022.
  • “Nucleation and Stationary States of Electrochemically Generated Nanobubbles", EMLG/JMLG 2022 Annual Meeting: Molecular Liquids at Interfaces, Barcelona, Spain, September 2022 . Invited Talk/Keynote, Presented, 09/2022.
  • “Molecular modeling of the nanostructure, mechanisms of mobility, and water uptake of anion exchange polymer membranes”, VIII Symposium on Hydrogen, Fuel Cells and Advanced Batteries, Buenos Aires, Argentina, July 2022 . Invited Talk/Keynote, Presented, 07/2022.
  • “Biological ice nucleation”, 4th Ice Binding Protein Conference, Queens University, Ontario, Canada July 2022 . Invited Talk/Keynote, Presented, 07/2022.
  • “Molecular modeling of anion exchange membranes.”, American Conference of Theoretical Chemistry (ACTC), Tahoe, CA, July 2022 . Invited Talk/Keynote, Presented, 07/2022.
  • “Elucidating the mechanisms of synthesis of zeolites using molecular simulations”, Colloquium, S. N. Bose National Centre for Basic Sciences, Kolkata (virtual), July 2022. Invited Talk/Keynote, Presented, 07/2022.
  • “Mechanisms of nucleation and stationary states of electrochemically generated nanobubbles”, 17th Conference of the International Association of Colloid and Interface Scientists, Brisbane, Australia, June, 2022. Invited Talk/Keynote, Presented, 06/2022.
  • “Elucidating the mechanisms of synthesis of zeolites using data science and molecular simulations” Symposium DS01—Integrating Machine Learning and Simulations for Materials Modeling, Design and Manufacturing, Spring Materials Research Society Meeting, Honolulu HI, May 2022. Invited Talk/Keynote, Presented, 05/2022.
  • “The most potent snowmakers” Third Coast Water Symposium, Chicago, IL, April 2022. Invited Talk/Keynote, Presented, 04/2022.
  • “Towards the elucidation of the mechanisms of synthesis of zeolites.” Statistical Physics Seminar, Department of Chemistry and Biochemistry, University of Maryland, March 2022. Invited Talk/Keynote, Presented, 03/2022.
  • “Ice nucleation without supercooling: on the search for the most potent ice nucleants.” INP international colloquium, ETH Zurich, February 2022. Invited Talk/Keynote, Presented, 02/2022.
  • “Towards the Elucidation of the Mechanisms of Synthesis of Zeolites” colloquium at Center for Nanoscale Materials, Argonne, January 2022. Invited Talk/Keynote, Presented, 01/2022.
  • “Ice nucleation without supercooling: on the search for the most potent ice nucleants.” colloquium at Department of Mechanical & Industrial Engineering at the University of Illinois at Chicago, December 2021. Invited Talk/Keynote, Presented, 12/2021.
  • “Towards the elucidation of the mechanism of hydrothermal synthesis of zeolites” Keynote Address Thermodynamics and Transport Properties, 2021 AIChE National Meeting, Boston, MA, November 2021. Invited Talk/Keynote, Presented, 11/2021.
  • “Towards the elucidation of the mechanism of hydrothermal synthesis of zeolites” DB Robinson Lecture Series Schlumberger Lecture, Department of Chemical & Materials Engineering at the University of Alberta, CA, November 2021. Invited Talk/Keynote, Presented, 11/2021.
  • “Towards the elucidation of the mechanism of hydrothermal synthesis of zeolites” Colloquium at Department of Chemistry, Princeton University, Princeton, NJ November 2021. Invited Talk/Keynote, Presented, 11/2021.
  • “Molecular Recognition of Ice by Proteins: from Ice Nucleation to Antifreeze”, Department of Chemistry, University of West Florida, October 2021. Invited Talk/Keynote, Presented, 10/2021.
  • “Towards the elucidation of the mechanism of formation of porous silicate crystals”, 33th International Conference on Science and Technology of Complex Fluids (virtual), Guanajuato, Mexico, October 2021 . Invited Talk/Keynote, Presented, 10/2021.
  • “Nucleation and Stationary States of Electrochemically Generated Nanobubbles", School of Chemistry, University of Sydney, Australia, October 2021 . Invited Talk/Keynote, Presented, 10/2021.
  • “Elucidating the mechanism of synthesis of zeolites through molecular simulaitions”, ZeoSymle, Workshop on the application of machine learning algorithms to the synthesis of zeolites, Houston, TX, September 2020 (moved to 2021). Invited Talk/Keynote, Accepted, 09/2021.
  • “Ice binding molecules: from antifreeze to ice nucleating”, Ice Binding Protein Seminar Series, September 2021. Invited Talk/Keynote, Presented, 09/2021.
  • “Towards the elucidation of the mechanism of hydrothermal synthesis of zeolites”, Materials & Molecular Modelling (MMM) Hub++ Conference (virtual), Cambridge, UK, September 2021 . Invited Talk/Keynote, Presented, 09/2021.
  • “Ice nucleation without supercooling: on the search for the most potent ice nucleants.”, Workshop on Molecular Characterisation of Interfaces in Atmospheric Aerosol, EPFL, France, September 2021 . Invited Talk/Keynote, Presented, 09/2021.
  • “Towards the elucidation of the mechanism of hydrothermal synthesis of zeolites”, 22nd American Conference on Crystal Growth and Epitaxy (ACCGE-22), AACG, virtual, August 2021 . Invited Talk/Keynote, Presented, 08/2021.
  • “Towards the elucidation of the mechanism of hydrothermal synthesis of zeolites”, INQUIMAE, University of Buenos Aires, Buenos Aires, August 2021 . Invited Talk/Keynote, Presented, 08/2021.
  • "Mechanism of Facilitation of Ion Mobility in Low Water Content Fuel Cell Membranes”, Water: Grand Challenges for Molecular Science and Engineering, Telluride Science Research Center, Telluride, CO, July 2021 . Invited Talk/Keynote, Presented, 07/2021.
  • “Towards the elucidation of the mechanism of hydrothermal synthesis of zeolites”, 11th Liquid Matter Conference, Prague, Czech Republic, July 2021 (virtual). Invited Talk/Keynote, Presented, 07/2021.
  • “Can synthetic polymers be as effective as (glyco)proteins in controlling ice growth?”, Cryopreservation grand challenges: fundamental molecular science to applications, Telluride Science Research Center, Telluride, CO, June 2021 . Invited Talk/Keynote, Presented, 06/2021.
  • “Ice Nucleation Without Supercooling: on the Search for the Most Potent Ice Nucleants”, NanoEngineering Department, University of California at San Diego, San Diego, CA, May 2021 (virtual). Invited Talk/Keynote, Presented, 05/2021.
  • “Ice Nucleation Without Supercooling: on the Search for the Most Potent Ice Nucleants”, 2021 AFOSR Molecular Dynamics and Theoretical Chemistry Program Review, Bethesda, MA, May 2021 (virtual) . Invited Talk/Keynote, Presented, 05/2021.
  • “Ice Nucleation Without Supercooling: on the Search for the Most Potent Ice Nucleants”, Department of Chemistry, Baylor University, Waco, TX, April 2021 (virtual) . Invited Talk/Keynote, Presented, 04/2021.
  • “Molecular Recognition of Ice by Proteins: From Ice Nucleation to Antifreeze”, Department of Chemistry, Utah Valley University, Orem, UT, March 2021 (virtual). Invited Talk/Keynote, Presented, 03/2021.
  • “Molecular Recognition of Ice by Proteins: From Ice Nucleation to Antifreeze”, Charusita Chakravarty Memorial Lecture, St. Stephens College, University of New Delhi, New Delhi, India, March 2021 (postponed due to COVID-19) . Invited Talk/Keynote, Accepted, 03/2021.
  • “Ice Nucleation Without Supercooling: on the Search for the Most Potent Ice Nucleants”, Department of Chemistry, University of New Hampshire, Durham, NH, March 2021 (virtual). Invited Talk/Keynote, Presented, 03/2021.
  • “Ice Nucleation Without Supercooling: on the Search for the Most Potent Ice Nucleants”, Statistical Thermodynamics and Molecular Simulations (STMS) Virtual Seminar Series, COMSEF, AIChE, January 2021 (virtual). Invited Talk/Keynote, Presented, 01/2021.
  • “Ice Nucleation Without Supercooling: on the Search for the Most Potent Ice Nucleants”, Theoretical Chemistry Seminar, Cambridge University, Cambridge, UK, December 2020 (virtual). Invited Talk/Keynote, Presented, 12/2020.
  • “Antifreeze Molecules: from Proteins to Polymers”, South American Initiative on Molecular Simulations (virtual). Invited Talk/Keynote, Presented, 12/2020.
  • “Nucleation and Stationary States of Electrochemically Generated Nanobubbles", International Conference on Nanobubbles, Nanodroplets and their Applications, Nanobubble 2020, Magdeburg, Germany, September 2020 (postponed due to COVID-19). Invited Talk/Keynote, Other, 09/2020.
  • “Using Mesophases to Control Crystal Nucleation and Polymorph Selection”, Royal Society Meeting”, London, UK, September 2020 (cancelled due to COVID-19). Invited Talk/Keynote, Other, 09/2020.
  • “Using Mesophases to Control Crystal Nucleation and Polymorph Selection”, 12th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC), Vancouver, Canada, August 2020 (cancelled due to COVID-19) . Invited Talk/Keynote, Other, 08/2020.
  • “Non-classical mechanisms of nucleation and polymorph selection in zeolites”, American Conference of Theoretical Chemistry (ACTC), Tahoe, CA, July 2020 (postponed due to COVID-19). Invited Talk/Keynote, Other, 07/2020.
  • “Role of Mesophases in the Crystallization Pathway of Zeolites” 11th Liquid Matter Conference, Prague, Czech Republic, July 2020 (postponed due to COVID-19). Invited Talk/Keynote, Other, 07/2020.
  • “Using Mesophases to Control Crystal Nucleation and Polymorph Selection”, Fundamentals of Crystallization, 27th Meeting of the American Association for Crystal Growth and Epitaxy -West Section, Fallen Leaf Lake, CA, June, 2020 (cancelled due to COVID-19). Invited Talk/Keynote, Other, 06/2020.
  • 165. “Molecular Modeling of Crystallization” International School of Crystallization, Granada, Spain, May 2020. (postponed to 2021 due to COVID-19). Invited Talk/Keynote, Other, 05/2020.
  • “Molecular Recognition of Ice by Proteins: From Ice Nucleation to Antifreeze” Department of Chemistry, University of Florida, Gainsville, FL, March 2020. Invited Talk/Keynote, Presented, 03/2020.
  • “Interfacial Control of the Nucleation and Aggregation of Gas Hydrates” Gordon Research Conference on Natural Gas Hydrate Systems, Galveston, TX, February 2020. Invited Talk/Keynote, Presented, 02/2020.
  • “Nucleation and Stationary States of Electrochemically Generated Nanobubbles” Berkeley Statistical Mechanics Symposium, Berkeley, CA, January 2020. Invited Talk/Keynote, Presented, 01/2020.
  • “Molecular Recognition of Ice by Proteins: From Ice Nucleation to Antifreeze” Computational Molecular Science & Engineering Forum (CoMSEF) Plenary Session, AIChE National Meeting, Orlando, FL, November 2019. Invited Talk/Keynote, Presented, 11/2019.
  • “Heterogeneous Ice Nucleation by Proteins” Symposium on the Physical Chemistry of the Atmosphere, ACS National Meeting, San Diego, CA, August 2019. Invited Talk/Keynote, Presented, 08/2019.
  • “Molecular Recognition of Ice by Proteins: from Ice Nucleation to Antifreeze” Symposium Spotlight on Chemistry & Water in the Journal of the American Chemical Society, ACS National Meeting, San Diego, CA, August 2019. Invited Talk/Keynote, Presented, 08/2019.
  • “How do Surfactants Control the Nucleation and Anti-agglomeration of Clathrate Hydrates” Symposium on Water, Ice, and Clathrate Hydrate Geochemistry: Molecular Structures, Microscopic Properties, and Energetics, ACS National Meeting, San Diego, CA, August 2019. Invited Talk/Keynote, Presented, 08/2019.
  • “Molecular Recognition of Ice by Proteins: from Ice Nucleation to Antifreeze”, Department of Chemistry, University of Buenos Aires, Argentina, July 2019. Invited Talk/Keynote, Presented, 07/2019.
  • “Ice-binding molecules: from antifreeze to ice nucleation, and beyond”, Gordon Research Conference Science of Adhesion, Mount Holyoke College, MA, July 2019. Invited Talk/Keynote, Presented, 07/2019.
  • “Heterogeneous ice nucleation, and beyond”, 3rd Workshop on Structure and Dynamics of Glassy, Supercooled and Nanoconfined Fluids, Buenos Aires, Argentina, July 2019. Invited Talk/Keynote, Presented, 07/2019.
  • “Molecular Modeling of Anion Exchange Membranes for Fuel cells”, Telluride Science Research Center Workshop on “Water: Grand Challenges for Molecular Science and Engineering, Telluride, CO, June 2019. Invited Talk/Keynote, Presented, 06/2019.
  • “Heterogeneous ice nucleation, and beyond”, Gordon Research Conference on Crystal Growth and Assembly, Biddeford, ME, June 2019. Invited Talk/Keynote, Presented, 06/2019.
  • “Molecular Recognition of Ice by Proteins: from Ice Nucleation to Antifreeze”, Department of Chemical and Biological Engineering, Cornell University, March 2019. Invited Talk/Keynote, Presented, 03/2019.
  • “Molecular Recognition of Ice by Proteins: from Ice Nucleation to Antifreeze”, Department of Chemistry, New York University, NY, February 2019. Invited Talk/Keynote, Presented, 02/2019.
  • “Molecular Recognition of Ice by Proteins: from Ice Nucleation to Antifreeze”, Science Breakfast, The University of Utah, Salt Lake City, UT, November 2018. Invited Talk/Keynote, Presented, 11/2018.
  • “Molecular Recognition of Ice by Proteins: from Ice Nucleation to Antifreeze”, Department of Chemistry, Colorado State University, CO, November 2018. Invited Talk/Keynote, Presented, 11/2018.
  • “Molecular Recognition of Ice by Proteins: from Ice Nucleation to Antifreeze” APS Four Corners Meeting, Salt Lake City, UT, October 2018. Invited Talk/Keynote, Presented, 10/2018.
  • “Molecular Recognition of Ice by Proteins: from Ice Nucleation to Antifreeze”, Department of Chemical and Biological Engineering, University of Houston, TX, October 2018. Invited Talk/Keynote, Presented, 10/2018.
  • “Crystallization of water: a molecular perspective”, 2018 Welch Foundation Conference “Water: Science and Technology”, Houston, TX, October 2018. Invited Talk/Keynote, Presented, 10/2018.
  • “Self-assembly of mesophases and zeolites from nanoparticles” Symposium "Anisotropic Particles – Tailoring Shape, Interactions and Structures", Konstanz, Germany, September 2018. Invited Talk/Keynote, Presented, 09/2018.
  • “Ice formation, structures, and interfaces”, Paul Scherrer Institute, Villigen, Switzerland, September 2018. Invited Talk/Keynote, Presented, 09/2018.
  • “Heterogeneous ice nucleation, and beyond”, CECAM workshop on "Heterogeneous Ice Nucleation: The Ultimate Challenge for Molecular Modelling", Lausanne, Switzerland, September 2018. Invited Talk/Keynote, Presented, 09/2018.
  • “Molecular Recognition of Ice by Proteins: from Ice Nucleation to Antifreeze”, International Workshop WaterX: Exotic Properties of Water under Extreme Conditions, Sardinia, Italy, June 2018. Invited Talk/Keynote, Presented, 06/2018.
  • “Crystallization of water: a molecular perspective”, Twentieth Symposium on Thermophysical Properties, NIST, Boulder, CO, June 2018. Invited Talk/Keynote, Presented, 06/2018.
  • “Molecular Recognition of Ice by Proteins: from Ice Nucleation to Antifreeze”, A 21th Century View of Disordered Matter, Symposium of the ISIS Disordered Materials Group in honor Alan Soper, Oxfordshire, UK, May 2018. Invited Talk/Keynote, Presented, 05/2018.
  • “Ice formation in the atmosphere: a molecular perspective”, University of Chicago, Institute of Molecular Sciences, Chicago, IL, May 2018. Invited Talk/Keynote, Presented, 05/2018.
  • “Molecular Simulations”, American Physical Society Conference, “Graduate Student Lunch with Experts”, Los Angeles, CA, March 2018. Invited Talk/Keynote, Presented, 03/2018.
  • “Molecular Recognition of Ice by Proteins: from Ice Nucleation to Antifreeze”, Department of Chemical and Biomolecular Engineering, North Carolina State University”, Raleigh, NC, March 2018. Invited Talk/Keynote, Presented, 03/2018.
  • “Self-assembly of mesophases and zeolitic crystals from nanoparticles”, American Physical Society Conference, symposium on “Self-assembly of nano-structured, macromolecular, and nano-porous materials”, Los Angeles, CA, March 2018. Invited Talk/Keynote, Presented, 03/2018.
  • “Molecular Recognition of Ice by Proteins: from Ice Nucleation to Antifreeze”, Distinguished Faculty Colloquium, The University of Utah, Chemistry Department, Salt Lake, City, UT, February 2018. Invited Talk/Keynote, Presented, 02/2018.
  • “Molecular Recognition of Ice by Proteins: from Ice Nucleation to Antifreeze”, University of Chicago, Institute of Molecular Sciences, Chicago, IL, January 2018. Invited Talk/Keynote, Presented, 01/2018.
  • “Nucleation of Ice: a Molecular Perspective”, The University of Utah, Department of Atmospheric Sciences, Salt Lake City, UT, January 2018. Invited Talk/Keynote, Presented, 01/2018.
  • “Ice formation in the atmosphere: a molecular perspective”, Department of Chemistry, University of North Carolina, Chapel Hill, NC, November 2016. Invited Talk/Keynote, Presented, 11/01/2016.
  • “Ice formation in the atmosphere: a molecular perspective”, Department of Chemistry, University of Colorado, Boulder, CO, November 2016. Invited Talk/Keynote, Presented, 11/01/2016.
  • “Ice formation in the atmosphere: a molecular perspective”, Department of Chemistry, Duke University, Durham, NC, November 2016. Invited Talk/Keynote, Presented, 11/01/2016.
  • “Ice formation in the atmosphere: a molecular perspective”, Department of Chemistry, MIT, Boston, MA, October 2016. Invited Talk/Keynote, Presented, 10/01/2016.
  • “High-resolution coarse-grained models based on short-range anisotropic interactions”, Conference in Multiscale simulation methods for soft matter systems, Darmstadt, Germany, October 2016. Invited Talk/Keynote, Presented, 10/01/2016.
  • “Crystallization of water: a molecular perspective”, Karlusche Institute of Technology, Germany, October 2016. Invited Talk/Keynote, Presented, 10/01/2016.
  • “Ice formation in the atmosphere: a molecular perspective”, Universidad Complutense de Madrid, Spain, October 2016. Invited Talk/Keynote, Presented, 10/01/2016.
  • “Role of Stacking Disorder in Ice Nucleation”, Royal Society Workshop on Nucleation, Chicheley, UK, September 2016. Invited Talk/Keynote, Presented, 09/01/2016.
  • “Crystallization of water: a molecular perspective”, Conference “Towards a Molecular Level Understanding of Atmospheric Aerosols”, Santa Cruz, CA, August 2016. Invited Talk/Keynote, Presented, 08/01/2016.
  • “What determines the structure of ice in clouds?”, Gordon Research Conference on Water and Aqueous Solutions, Plymouth, NH, July 2016. Invited Talk/Keynote, Presented, 07/01/2016.
  • “Water-like Anomalies in Monatomic Pair and Anisotropic Potentials that Stabilize Tetrahedral Crystals”, ACS symposium “Multi-Scales”, San Diego, CA March 2016. Invited Talk/Keynote, Presented, 03/01/2016.
  • “Structure, Liquidity and Solute Attraction at the Ice-Vapor Interface”, ACS symposium “Physical Chemistry of Complex Environmental Interfaces” San Diego, CA March 2016. Invited Talk/Keynote, Presented, 03/01/2016.
  • “If water and clathrates do not mix, how do they form clathrate hydrates?”, Department of Chemistry, Yale University, New Haven, CT, November 2015. Invited Talk/Keynote, Presented, 11/10/2015.
  • “Pathway of crystallization of water”, “2015 Symposium on Chemical Physics”, University of Waterloo, Waterloo, Canada, November 2015. Invited Talk/Keynote, Presented, 11/07/2015.
  • “Liquid Crystals from Spherical Particles”, Department of Chemical Engineering and Physical Sciences, Yale University, New Haven, CT, November 2015. Invited Talk/Keynote, Presented, 11/01/2015.
  • “Crystallization of water: a molecular perspective”, Department of Chemistry, Emory University, Atlanta, GA, September 2015. Invited Talk/Keynote, Presented, 09/16/2015.
  • “Crystallization of water: a molecular perspective”, Department of Chemistry, Georgia Tech, Atlanta, GA, September 2015. Invited Talk/Keynote, Presented, 09/15/2015.
  • “Nucleation of Ice: A Molecular Perspective”, Materials Synthesis and Simulations Across Scales Seminars, PNNL, Richland, WA, May 2015. Invited Talk/Keynote, Presented, 05/11/2015.
  • “Nucleation of ice and clathrate hydrates: a molecular perspective” Workshop on Ice Nucleation, Princeton Center for Theoretical Science, Princeton, NJ, April 2015. Invited Talk/Keynote, Presented, 04/2015.
  • “Nucleation of ice: a molecular perspective” Symposium on Transformation of Matter in the Troposphere, 240th ACS National Meeting, Denver, CO, March 2015. Invited Talk/Keynote, Presented, 03/2015.
  • “Liquid crystals from spherical particles” Berkeley Mini Statistical Mechanics Symposium, Berkeley, CA, January 2015. Invited Talk/Keynote, Presented, 01/2015.
  • “The role of interfaces on the crystallization of water” workshop on Fundamental Challenges in our Understanding of the Physics and Chemistry of Water, Houston, TX, January 2015. Invited Talk/Keynote, Presented, 01/2015.
  • “Heterogeneous Nucleation of Ice on Carbon Surfaces”, session on “Atmospheric Ice Nuclei and Ice Cloud Formation: Field, Laboratory and Modeling Studies”, American Geophysical Union Fall Meeting, San Francisco, CA, December 2014. Invited Talk/Keynote, Presented, 12/2014.
  • “If water and methane do not mix, how do they form clathrate hydrates?.” Department of Chemistry, University of Rochester, Rochester, New York, November 2014. Invited Talk/Keynote, Presented, 11/2014.
  • “Order, dynamics, and phase transformations in materials.” Department of Chemistry, University of Utah, Salt Lake City, Utah, September 2014. Invited Talk/Keynote, Presented, 09/2014.
  • “What is liquid water? Anomalies and crystallization in water.” Condensed Matter Physics Symposium on the occasion of Doug Henderson’s 80th birthday, Provo, Utah, August 2014. Invited Talk/Keynote, Presented, 08/2014.
  • “Crystallization of water nanoparticles.” International Conference on Nanoscience + Technology 2014 (ICN+T 2014), Vail, Colorado, July 2014. Invited Talk/Keynote, Presented, 07/2014.
  • “Crystallization of water nanoparticles” V. Molinero, CECAM workshop WaterEurope, CECAM, Zaragoza, Spain, June 2014. Contributed Talk, Presented, 06/2014.
  • “Crystallization of water” V. Molinero, Ninth Liblice Conference on the Statistical Mechanics of Liquids, Sec Dam Lake, Czech Republic, June 2014. Invited Talk/Keynote, Presented, 06/2014.
  • “Crystallization of water”, CECAM workshop on Molecular Understanding of Nucleation, CECAM, Lausanne, Switzerland, June 2014. Invited Talk/Keynote, Presented, 06/2014.
  • “Crystallization of Water and Solutions: Low-density Liquid Water is the Mother of Ice”, Universite Pierre and Marie Curie, Paris, France, June 2014. Invited Talk/Keynote, Presented, 06/2014.
  • "Heterogeneous nucleation of ice at carbon surfaces.” V. Molinero, Workshop on Metastability and Nucleation in Water: Theory, Experiments, and Applications, Les Houches, France, June 2014. Invited Talk/Keynote, Presented, 06/2014.
  • “Heterogeneous nucleation of ice at carbon surfaces”, CECAM workshop on Molecular Simulations of Crystallization from Solution, CECAM, Lugano, Switzerland, May 2014. Invited Talk/Keynote, Presented, 05/2014.
  • “Ices, clathrates, quasicrystals and liquid crystals: unraveling the rich phase behavior of water.” V. Molinero, Department of Chemistry, Purdue University, Lafayette, IN, November 2013. Invited Talk/Keynote, Presented, 11/2013.
  • Low-density liquid water is the mother of ice: on the relation between liquid structure, thermodynamics and ice crystallization.” V. Molinero, 3rd International Conference on Molecular Simulations, Kobe, Japan, November 2013. Invited Talk/Keynote, Presented, 11/2013.
  • Ices, clathrates, quasicrystals and liquid crystals: unraveling the rich phase behavior of water.” V. Molinero, Department of Chemistry, Pennsylvania State University, State College, PA, November 2013. Invited Talk/Keynote, Presented, 11/2013.
  • “From hydrophobic hydration to assembly of clathrates …and zeolites and liquid crystals.” V. Molinero, Okayama University, Okayama, Japan, November 2013. Invited Talk/Keynote, Presented, 11/2013.
  • “Ices, clathrates, quasicrystals and liquid crystals: unraveling the rich phase behavior of water.” V. Molinero, Department of Physics, Missouri University of Science and Technology, Rolla, MO, October 2013. Invited Talk/Keynote, Presented, 10/2013.
  • “Ices, clathrates, quasicrystals and liquid crystals: unraveling the rich phase behavior of water” V. Molinero, Department of Physics and Astronomy, Brigham Young University, Provo, UT, October 2013. Invited Talk/Keynote, Presented, 10/2013.
  • “Quasicrystals and crystals tiled with pentagons in water and silicon” V. Molinero, 12th International Conference on Quasicrystals ICQ12, Krakow, Poland, September 2013. Invited Talk/Keynote, Presented, 09/2013.
  • “Low-density liquid water is the mother of ice: on the relation between mesostructure, thermodynamics and ice crystallization in solutions.” V. Molinero, Faraday Discussion 167 “Mesostructure and dynamics in liquids and solutions”, Bristol, UK, September 2013. Invited Talk/Keynote, Presented, 09/2013.
  • “What determines the temperature of ice crystallization?” V. Molinero, 50th Annual Meeting of the Society of Cryobiology CRYO 2013, Bethesda, MD, July 2013. Invited Talk/Keynote, Presented, 07/2013.
  • “Minimalistic Models of Water.” V. Molinero, Lectures in the Enrico School of Physics “Water: fundamentals as the basis for understanding the environment and promoting technology”, Varenna, Italy, July 2013. Invited Talk/Keynote, Presented, 07/2013.
  • “What determines the freezing temperature of water?”, V. Molinero, 19th International Conference on Nucleation and Atmospheric Aerosols, Fort Collins, CO, June 2013. Invited Talk/Keynote, Presented, 06/2013.
  • . “Heterogeneous nucleation of ice on carbon surfaces”, V. Molinero, CECAM workshop "The role of interfaces in crystallization", Laussanne, Switzerland, May 2013. Invited Talk/Keynote, Presented, 05/2013.
  • “Ions without Charges, Hydrogen-Bonds without Hydrogens: Building Coarse-Grained Models with Short-Range, Anisotropic Interactions.” V. Molinero, Symposium on “Multiscale Modeling: Coarse-Graining in Space and Time,” APS National Meeting, Baltimore, MA, March 2013. Invited Talk/Keynote, Presented, 03/2013.
  • Ices, clathrates, quasicrystals and liquid crystals: unraveling the rich behavior of water.” V. Molinero, Department of Chemistry and Chemical Biology, Cornell University, Ithaca, NY, March 2013. Invited Talk/Keynote, Presented, 03/2013.
  • “Crystallization of water, from bulk to the nanoscale” V. Molinero, Workshop of the Atmospheric Integrated Research at University of California Irvine, Laguna Beach, CA, January 2012. Invited Talk/Keynote, Presented, 01/2012.
  • “The anomalous thermodynamics of water from high-temperature liquid to low-density amorphous ice studied with the mW water model.” V. Molinero, Nobel Symposium on Water in Biology and Medicine, Stockholm, Sweden, August 2011. [symposium cancelled]. Invited Talk/Keynote, Accepted, 08/2011.
  • Crystallization of water: from bulk to the nanoscale” V. Molinero, Symposium in Honor of 100th Anniversary of Marie Curie’s Nobel Prize for International Year of Chemistry, 242th National Meeting ACS, Denver, CO, August 2011. Invited Talk/Keynote, Presented, 08/2011.
  • “Ices, clathrates and a quasicrystal: How does liquid water form ordered phases?” V. Molinero, Gordon Conference on the Physics and Chemistry of Liquids, Plymouth, New Hampshire, July 2011. Invited Talk/Keynote, Presented, 07/2011.
  • "Ice crystallization, from cold and from hot water", American Conference of Theoretical Chemistry, Telluride, Colorado, July 2011. Invited Talk/Keynote, Presented, 07/2011.
  • "Limit of metastability of supercooled water", V. Molinero, CECAM Workshop “Models for Bulk, Confined Water and Aqueous Solutions Upon Supercooling: State of the Art and Future Perspectives in Understanding Water Anomalies by Computer Simulations”, Lausanne, Switzerland, July 2011. Invited Talk/Keynote, Presented, 07/2011.
  • “Crystallization pathways of clathrate hydrates” V. Molinero, Workshop on the Chemistry and Dynamics in Complex Environments, Telluride, CO, June 2011. Invited Talk/Keynote, Presented, 06/2011.
  • “Quasicrystal and ice phases tiled with pentagons in confined water” V. Molinero, Symposium on “The role of Water in Energy Production and Utilization”, American Physical Society, Dallas, TX, March 2011. Invited Talk/Keynote, Presented, 03/2011.
  • “Crystallization of water, from bulk to the nanoscale” V. Molinero, Department of Chemical Engineering, Princeton University, NJ, February 2011. Invited Talk/Keynote, Presented, 02/2011.
  • “Crystallization of water: from bulk to nano” V. Molinero, Berkeley Mini Statistical Mechanics Symposium, Berkeley, CA, January 2011. Invited Talk/Keynote, Presented, 01/2011.
  • “Crystallization of water: from bulk to the nanoscale” V. Molinero, Department of Chemistry, UC Santa Barbara, CA, January 2011. Invited Talk/Keynote, Presented, 01/2011.
  • “Ices, clathrates and a quasicrystal: How does liquid water form ordered phases?” V. Molinero, Department of Chemistry, Colorado State University, CO. Invited Talk/Keynote, Presented, 09/2010.
  • “Ices, clathrates and a quasicrystal: How does liquid water form ordered phases?” V. Molinero, Department of Chemical Engineering, Colorado School of Mines, CO. Invited Talk/Keynote, Presented, 09/2010.
  • “Crystallization of water” V. Molinero, Beckman Young Investigators Symposium, Newport Beach, CA. Invited Talk/Keynote, Presented, 08/2010.
  • “Molecular modeling of nucleation and growth of clathrate hydrates” V. Molinero, Workshop on the Microscopic Description of Gas Clathrate, Telluride, CO. Invited Talk/Keynote, Presented, 07/2010.
  • “Hydrogen bonds without hydrogens: coarse-grained modeling of water and its solutions” V. Molinero, Many-Body Interactions: From Quantum Mechanics to Force Fields, Telluride Science Research Center, Telluride, CO. Invited Talk/Keynote, Submitted, 06/2010.
  • “Nanophase segregation in binary glasses driven by polyamorphism of the solvent” V. Molinero, 11th International Conference on the Structure of Non-Crystalline Materials (NCM11), Paris, France. Invited Talk/Keynote, Presented, 06/2010.
  • “Ice nucleation and the liquid-liquid transition in water” V. Molinero, Workshop on Viscous Liquids and the Glass Transition VIII, Søminestationen, Holbæk, Denmark. Invited Talk/Keynote, Presented, 05/2010.
  • “Water made simple” V. Molinero, Department of Chemistry, University of California at Irvine, Irvine, CA, October 2009. Invited Talk/Keynote, Presented, 10/2009.
  • “Patterns and collective structures in water” V. Molinero, Department of Physics, University of Utah, Salt Lake City, UT, October 2009. Invited Talk/Keynote, Presented, 10/2009.
  • “Crystals and patterns that water makes, or that it could make.” V. Molinero, Stanford Synchrotron Radiation Lightsource, Stanford University, Palo Alto, CA, September 2009. Invited Talk/Keynote, Presented, 09/2009.
  • “Water: an ubiquitous liquid with anomalous properties.” V. Molinero, Department of Chemistry, University of Buenos Aires, Buenos Aires, Argentina, May 2009. Invited Talk/Keynote, Presented, 05/2009.
  • “Two glasses of water, with ice.” V. Molinero, Department of Physics, Yeshiva University, New York, NY, April 2009. Invited Talk/Keynote, Presented, 04/2009.
  • “Nucleation of Ice.” V. Molinero, APS Meeting, Pittsburgh, PA, March 2009. Invited Talk/Keynote, Presented, 03/2009.
  • “Two glasses of water, with ice.” V. Molinero, Department of Chemistry, University of Pittsburgh, Pittsburgh, PA, February 2009. Invited Talk/Keynote, Presented, 02/2009.
  • “Two glasses of water, with ice.” V. Molinero, Department of Chemistry, Brigham Young University, Provo, UT, October 2008. Invited Talk/Keynote, Presented, 10/2008.
  • “Two glasses of water, with ice.” V. Molinero, Department of Chemistry, University of California at Los Angeles, Los Angeles, CA, October 2008. Invited Talk/Keynote, Presented, 10/2008.
  • “Vitrification of tetrahedral liquids: from water to germanium and beyond.” V. Molinero, European Synchroton Radiation Facility Workshop: New opportunities and challenges for liquid and amorphous materials science, Grenoble, France, September 2008. Invited Talk/Keynote, Presented, 09/2008.
  • “The phase diagram of water in hydrophobic confinement.” V. Molinero, ACS Meeting, Philadelphia, PA, August 2008. Invited Talk/Keynote, Presented, 08/2008.
  • “Ice nucleation and the liquid-liquid transition in water” V. Molinero, Gordon Research Conference: Water and Aqueous Solutions, Phymouth, NH, July 2008. Invited Talk/Keynote, Presented, 07/2008.
  • “Nanophase segregation in supercooled aqueous solutions driven by water polyamorphism” V. Molinero, Aqueous solutions and their interfaces (workshop), Crete, Greece, June 2008. Invited Talk/Keynote, Presented, 06/2008.
  • “Water behaves as an intermediate element between carbon and silicon” V. Molinero, Henry Eyring Center Symposium Salt Lake City, UT, April 2008. Invited Talk/Keynote, Presented, 04/2008.
  • “Ice nucleation and the liquid-liquid transition” V. Molinero, European Research Conference: Water Interfaces Physics, Chemistry and Biology, Obergurgl, Austria, December 2007. Invited Talk/Keynote, Presented, 12/2007.
  • “mW: a monatomic model of water with tetrahedral interactions.” V. Molinero, ACS Meeting, Boston, MA, August 2007. Invited Talk/Keynote, Presented, 08/2007.
  • Summer School “Linear Response: Theory and Practice” V. Molinero, Workshop Viscous Liquids and the Glass Transition IV, Søminestationen, Holbæk, Denmark, July 1-8 2007. Invited Talk/Keynote, Presented, 07/2007.
  • “Liquid-liquid immiscibility in supercooled aqueous solutions driven by water’s polyamorphism.” V. Molinero, Workshop Viscous Liquids and the Glass Transition IV, Søminestationen, Holbæk, Denmark, July 2007. Invited Talk/Keynote, Presented, 07/2007.
  • “Decoupled water diffusion in carbohydrate glasses”. Invited by “Glass and Time” Danish National Resarch Foundation Centre for Viscous Liquids Dynamics, Roskilde, Denmark May 2007. Invited Talk/Keynote, Presented, 05/2007.
  • “Vitrification of a monatomic metallic liquid in simulations and experiment”. Invited by “Glass and Time” Danish National Resarch Foundation Centre for Viscous Liquids Dynamics, Roskilde, Denmark May 2007. Invited Talk/Keynote, Presented, 05/2007.
  • “A monatomic model that reproduces the structure, anomalies and phase transitions of water”. Invited by “Glass and Time” Danish National Resarch Foundation Centre for Viscous Liquids Dynamics, Roskilde, Denmark May 2007. Invited Talk/Keynote, Presented, 05/2007.
  • Mesoscale modeling of carbohydrates: from atoms to beads and back”. Computational Materials Design Facility Workshop on Multiscale Modeling, California Institute of Technology, August 2005. Invited Talk/Keynote, Presented, 08/2005.
  • “The path of water: a molecular perspective of transport in membranes and glasses”, Helmholtz Lecture, Santorini, Greece, July 2005. Invited Talk/Keynote, Presented, 07/2005.
  • “Water diffusion in carbohydrate glasses”. Purdue University, March 2005. Invited Talk/Keynote, Presented, 03/2005.
  • “Mechanisms of diffusion in supercooled and glassy water-carbohydrate mixtures”. Workshop on Dynamics and relaxation in supercooled fluids and glassy systems, Mar del Plata, Argentina, September 2004. Invited Talk/Keynote, Presented, 09/2004.
  • “How does water diffuse in glasses of carbohydrates?” International Symposium on the properties of water ISOPOW IX , Mar del Plata, Argentina, September 2004. Invited Talk/Keynote, Presented, 09/2004.
  • “Molecular modeling of polymer electrolyte membranes for fuel cell applications". CNEA, National Atomic Energy Commission, Buenos Aires, Argentina. April, 2004. Invited Talk/Keynote, Presented, 04/2004.
  • “Microscopic mechanisms of relaxation in glasses of carbohydrates”, Arizona State University, April 2004. Invited Talk/Keynote, Presented, 04/2004.
  • “Nanostructure of Nafion Membranes”. Computational Nanotechnology and Molecular Engineering Workshop, Pan American Advanced Study Institute Program, Pasadena, California. January 2004. Invited Talk/Keynote, Presented, 01/2004.
  • “Is molecular simulation useful for designing crispier corn flakes?" Department of Chemistry, University of Buenos Aires, Argentina. April, 2002. Invited Talk/Keynote, Presented, 04/2002.

Research Groups

  • Esteban Gadea, Postdoc. 01/15/2024 - 01/14/2027.
  • Alice Leppert, Skyline High School , Other. 06/2023 - 09/2023.
  • Shakkira Erimban, Postdoc. 06/01/2023 - present.
  • Ignacio Bombau, Universidad de Buenos Aires, Visiting Student. 05/2023 - 10/2023.
  • Spencer Marx, Undergraduate Student. 05/2023 - 01/2024.
  • Yamila Perez Sirkin, Visiting Faculty. 05/2023 - 08/2023.
  • Matias Factorovich, Visiting Faculty. 05/2023 - 08/2023.
  • Ben Money, Undergraduate Student. 05/2023 - present.
  • Eli Martinez Guerra, Graduate Student. 11/2022 - present.
  • Mitchell Spendlove, Undergraduate Student. 08/2022 - 12/2023.
  • Esteban Gadea, Universidad de Buenos Aires, Visiting Student. 06/2022 - 09/2022.
  • Alice Leppert, Skyline High School, Other. 06/2022 - 08/2022.
  • Conrad Morris , Undergraduate Student. 06/2022 - 11/2022.
  • Carlos Chu-Jon, Postdoc. 03/2022 - present.
  • Ingrid de Almeida Ribeiro, Postdoc. 09/2021 - present.
  • Kaixin Wang, Graduate Student. 08/2021 - present.
  • Jackson Elowitt, Undergraduate Student. 07/2021 - 09/2022.
  • Rajat Kumar , Graduate Student. 10/2020 - present.
  • Debdas Dhabal, Postdoc. 06/2020 - 11/2023.
  • Alberto Zaragoza de Lorite, Postdoc. 11/2019 - 04/2022.
  • Andressa A. Bertolazzo, Postdoc. 10/2019 - 08/2022.
  • Adam Barnett, Graduate Student. 01/01/2017 - 05/2022.
  • Maryam Ghiassee, Graduate Student. 11/01/2016 - present.
  • Chance Miller, Undergraduate Student. 06/01/2016 - present.
  • Xiuhui Zhang, Visiting Faculty. 12/01/2015 - 12/01/2016.
  • Pavithra Naullage, Graduate Student. 11/01/2015 - present.
  • Maryam Zare, Graduate Student. 09/15/2015 - 11/15/2016.
  • Michael Allen, Undergraduate Student. 05/01/2015 - 01/01/2017.
  • Afshin Edrissi, Undergraduate Student. 05/01/2015 - 08/01/2015.
  • Nathan Odendahl, Undergraduate Student. 03/31/2015 - 06/01/2016.
  • Andressa A. Bertolazzo, Postdoc. 04/2014 - 04/2016.
  • Abhinaw Kumar, Graduate Student. 11/2012 - present.
  • Yuqing Qiu, Graduate Student. 11/2012 - present.
  • Arpa Hudait, Graduate Student. 11/2012 - present.
  • Laura Lupi, Postdoc. 09/2012 - present.
  • Liam C. Jacobson, Postdoc. 09/2012 - 03/31/2015.
  • Jibao Lu, Postdoc. 08/2012 - present.
  • Bin Song, Graduate Student. 01/2012 - present.
  • Andrew Nguyen, Graduate Student. Chemistry. 01/2011 - 12/2014.
  • Liam Jacobson, Graduate Student. Chemsitry. 01/2008 - 05/2011.

Languages

  • English, fluent.
  • Spanish, fluent.