The formation of cubic ice under conditions relevant to Earth's atmosphere
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journal
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March 2005 |
Self‐Diffusion in Liquid Water to −31°C
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December 1972 |
Measurements of the vapor pressure of cubic ice and their implications for atmospheric ice clouds
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journal
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January 2006 |
Stacking disorder in ice I
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January 2015 |
Is it cubic? Ice crystallization from deeply supercooled water
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January 2011 |
Polarizable Atomic Multipole Water Model for Molecular Mechanics Simulation
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May 2003 |
Water Modeled As an Intermediate Element between Carbon and Silicon †
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journal
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April 2009 |
The mold integration method for the calculation of the crystal-fluid interfacial free energy from simulations
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journal
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October 2014 |
Fast Parallel Algorithms for Short-Range Molecular Dynamics
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journal
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March 1995 |
A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions
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journal
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May 2000 |
Ice crystallization in water’s “no-man’s land”
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June 2010 |
Free energy contributions and structural characterization of stacking disordered ices
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journal
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January 2016 |
Global transition path search for dislocation formation in Ge on Si(001)
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journal
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August 2016 |
Is Water at the Graphite Interface Vapor-like or Ice-like?
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journal
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October 2017 |
Dislocation mechanism for transformation between cubic ice I c and hexagonal ice I h
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October 2015 |
Direct calculation of ice homogeneous nucleation rate for a molecular model of water
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journal
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August 2015 |
Diffraction pattern and structure of amorphous solid water at 10 and 77 °K
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journal
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February 1976 |
Enthalpies of Sublimation of Organic and Organometallic Compounds. 1910–2001
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journal
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June 2002 |
What ice can teach us about water interactions: a critical comparison of the performance of different water models
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journal
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January 2009 |
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
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journal
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December 2000 |
On the accuracy of the MB-pol many-body potential for water: Interaction energies, vibrational frequencies, and classical thermodynamic and dynamical properties from clusters to liquid water and ice
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journal
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November 2016 |
The melting temperature of the most common models of water
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journal
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March 2005 |
Nuclear Quantum Effects in Water
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journal
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July 2008 |
Coarse-grained molecular models of water: a review
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journal
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July 2012 |
Coarse-Graining of TIP4P/2005, TIP4P-Ew, SPC/E, and TIP3P to Monatomic Anisotropic Water Models Using Relative Entropy Minimization
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journal
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August 2014 |
Crystal Nucleation in Liquids: Open Questions and Future Challenges in Molecular Dynamics Simulations
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journal
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May 2016 |
The structure of water around the compressibility minimum
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journal
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December 2014 |
Ice–Water Interfacial Free Energy for the TIP4P, TIP4P/2005, TIP4P/Ice, and mW Models As Obtained from the Mold Integration Technique
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journal
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April 2016 |
Extent and relevance of stacking disorder in "ice Ic"
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journal
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December 2012 |
An experimental determination of the surface energies of ice
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journal
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June 1969 |
Simulating water with rigid non-polarizable models: a general perspective
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journal
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January 2011 |
Enthalpy Changes and Heat‐Capacity Changes in the Transformations from High‐Surface‐Area Amorphous Ice to Stable Hexagonal Ice
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January 1968 |
Liquid Water from First Principles: Investigation of Different Sampling Approaches
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journal
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August 2004 |
Direct Measurement of Critical Nucleus Size in Confined Volumes
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journal
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June 2007 |
How Cubic Can Ice Be?
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journal
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June 2017 |
First principles phonon calculations in materials science
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journal
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November 2015 |
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
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journal
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March 2014 |
Thermodynamic, Diffusional, and Structural Anomalies in Rigid-Body Water Models
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journal
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June 2011 |
A reactive potential for hydrocarbons with intermolecular interactions
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journal
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April 2000 |
Role of stacking disorder in ice nucleation
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journal
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November 2017 |
Temperature-dependent self-diffusion coefficients of water and six selected molecular liquids for calibration in accurate 1H NMR PFG measurements
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journal
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January 2000 |
The microstructure of polar ice. Part I: Highlights from ice core research
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journal
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April 2014 |
Potential energy functions for atomic-level simulations of water and organic and biomolecular systems
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journal
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May 2005 |
Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool
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journal
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December 2009 |
A general purpose model for the condensed phases of water: TIP4P/2005
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journal
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December 2005 |
Structure of ice crystallized from supercooled water
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journal
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January 2012 |
Crystallization, Melting, and Structure of Water Nanoparticles at Atmospherically Relevant Temperatures
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journal
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April 2012 |
Formation and annihilation of stacking faults in pure ice
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journal
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October 1983 |
A Simplex Method for Function Minimization
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journal
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January 1965 |
Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
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journal
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December 2000 |
Direct Calculation of Solid-Liquid Interfacial Free Energy for Molecular Systems: TIP4P Ice-Water Interface
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journal
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January 2008 |
Vitreous Ice: Irreversible Transformations During Warm-Up
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journal
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May 1965 |
A space–time-ensemble parallel nudged elastic band algorithm for molecular kinetics simulation
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journal
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February 2008 |
An efficient and accurate framework for calculating lattice thermal conductivity of solids: AFLOW—AAPL Automatic Anharmonic Phonon Library
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journal
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October 2017 |
Systematic Improvement of a Classical Molecular Model of Water
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journal
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August 2013 |
Liquid water from first principles: investigation of different sampling approaches
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text
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January 2004 |
Nuclear quantum effects in water
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text
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January 2008 |
Direct Calculation of Ice Homogeneous Nucleation Rate for a Molecular Model of Water
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text
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January 2015 |
First principles phonon calculations in materials science
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preprint
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January 2015 |
Global transition path search for dislocation formation in Ge on Si(001)
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text
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January 2016 |
Strain-induced room-temperature ferroelectricity in SrTiO3 membranes
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journal
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June 2020 |
Revealing the role of liquid preordering in crystallisation of supercooled liquids
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journal
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August 2022 |
Ultrastrong conductive in situ composite composed of nanodiamond incoherently embedded in disordered multilayer graphene
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December 2022 |
(Fe,Ni)2P allabogdanite can be an ambient pressure phase in iron meteorites
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journal
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June 2020 |
New empirical approach for the structure and energy of covalent systems
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journal
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April 1988 |
What ice can teach us about water interactions: a critical comparison of the performance of different water models
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text
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January 2009 |