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Accurate Lattice Free Energies of Packing Polymorphs from Probabilistic Generative Models
Edgar Olehnovics, Yifei Michelle Liu, Nada Mehio, Ahmad Y. Sheikh, Michael R. Shirts and Matteo Salvalaglio Journal of Chemical Theory and Computation 21(5) 2244 (2025) https://doi.org/10.1021/acs.jctc.4c01612
Phase Transition of Cubic Ice to Hexagonal Ice during Growth and Decomposition
Ji Su Park, Namgyu Noh, Jungjae Park, Yoonsu Shim, Sanghyeon Park, Yusra Qureshi, Sung Kang, Yoon Huh, Chan-Woo Lee and Jong Min Yuk Nano Letters 24(37) 11504 (2024) https://doi.org/10.1021/acs.nanolett.4c02870
Molecular dynamics study on relaxation of supercooled liquid water at different cooling rates
The structure of ice under confinement in periodic mesoporous organosilicas (PMOs)
Niels C. Gießelmann, Philip Lenz, Sophia-Marie Meinert, Tamás Simon, Robert P. C. Bauer, Wonhyuk Jo, Sarah Claas, Christian Köhn, Nele N. Striker, Michael Fröba and Felix Lehmkühler The Journal of Chemical Physics 161(3) (2024) https://doi.org/10.1063/5.0216697
Configurational entropy of ice XIX and its isotope effect
Structure of crystalline water ice formed through neon matrix sublimation under cryogenic and vacuum conditions
Reo Sato, So Taniguchi, Naoki Numadate and Tetsuya Hama The Journal of Chemical Physics 158(21) 211101 (2023) https://doi.org/10.1063/5.0150927
Ice crystallization under cryogenic cooling in lipid membrane nanoconfined geometry: Time-resolved structural dynamics
Iuliia Baranova, Angelina Angelova, William E. Shepard, Jakob Andreasson and Borislav Angelov Journal of Colloid and Interface Science 634 757 (2023) https://doi.org/10.1016/j.jcis.2022.12.095
Comparison of the phase transitions of high-pressure phases of ammonium fluoride and ice at ambient pressure
Improving Condensed-Phase Water Dynamics with Explicit Nuclear Quantum Effects: The Polarizable Q-AMOEBA Force Field
Nastasia Mauger, Thomas Plé, Louis Lagardère, Simon Huppert and Jean-Philip Piquemal The Journal of Physical Chemistry B 126(43) 8813 (2022) https://doi.org/10.1021/acs.jpcb.2c04454
Following the Crystallization of Amorphous Ice after Ultrafast Laser Heating
Marjorie Ladd-Parada, Katrin Amann-Winkel, Kyung Hwan Kim, et al. The Journal of Physical Chemistry B 126(11) 2299 (2022) https://doi.org/10.1021/acs.jpcb.1c10906
On the role of intermolecular vibrational motions for ice polymorphs. II. Atomic vibrational amplitudes and localization of phonons in ordered and disordered ices
Hideki Tanaka, Takuma Yagasaki and Masakazu Matsumoto The Journal of Chemical Physics 152(7) (2020) https://doi.org/10.1063/1.5139697
Crystalline clusters in mW water: Stability, growth, and grain boundaries
Stacking Disorder by Design: Factors Governing the Polytypism of Silver Iodide upon Precipitation and Formation from the Superionic Phase
Rachael L. Smith, Martin Vickers, Martin Rosillo-Lopez and Christoph G. Salzmann Crystal Growth & Design 19(4) 2131 (2019) https://doi.org/10.1021/acs.cgd.8b01715
The vapor pressure of liquid and solid water phases at conditions relevant to the atmosphere
A new structural relaxation pathway of low-density amorphous ice
Jacob J. Shephard, Stefan Klotz, Martin Vickers and Christoph G. Salzmann The Journal of Chemical Physics 144(20) (2016) https://doi.org/10.1063/1.4951013
Approximations to the full description of stacking disorder in ice I for powder diffraction
Thomas C. Hansen, Christian Sippel and Werner F. Kuhs Zeitschrift für Kristallographie - Crystalline Materials 230(1) 75 (2015) https://doi.org/10.1515/zkri-2014-1780
Effects of stacking disorder on thermal conductivity of cubic ice
Benjamin J. Murray, Christoph G. Salzmann, Andrew J. Heymsfield, et al. Bulletin of the American Meteorological Society 96(9) 1519 (2015) https://doi.org/10.1175/BAMS-D-13-00128.1
Cross-nucleation between clathrate hydrate polymorphs: Assessing the role of stability, growth rate, and structure matching
Extent and relevance of stacking disorder in “ice I
c
”
Werner F. Kuhs, Christian Sippel, Andrzej Falenty and Thomas C. Hansen Proceedings of the National Academy of Sciences 109(52) 21259 (2012) https://doi.org/10.1073/pnas.1210331110
Structure of ice crystallized from supercooled water
Tamsin L. Malkin, Benjamin J. Murray, Andrey V. Brukhno, Jamshed Anwar and Christoph G. Salzmann Proceedings of the National Academy of Sciences 109(4) 1041 (2012) https://doi.org/10.1073/pnas.1113059109
Beyond crystals: the dialectic of materials and information
Julyan H. E. Cartwright and Alan L. Mackay Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 370(1969) 2807 (2012) https://doi.org/10.1098/rsta.2012.0106
Ice structures, patterns, and processes: A view across the icefields