- Home
- Publications
- Publication Search
- Publication Details
Title
Machine learning coarse grained models for water
Authors
Keywords
-
Journal
Nature Communications
Volume 10, Issue 1, Pages -
Publisher
Springer Nature
Online
2019-01-22
DOI
10.1038/s41467-018-08222-6
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Is Water at the Graphite Interface Vapor-like or Ice-like?
- (2018) Yuqing Qiu et al. JOURNAL OF PHYSICAL CHEMISTRY B
- How Cubic Can Ice Be?
- (2017) Andrew J. Amaya et al. Journal of Physical Chemistry Letters
- Role of stacking disorder in ice nucleation
- (2017) Laura Lupi et al. NATURE
- An efficient and accurate framework for calculating lattice thermal conductivity of solids: AFLOW—AAPL Automatic Anharmonic Phonon Library
- (2017) Jose J. Plata et al. npj Computational Materials
- Crystal Nucleation in Liquids: Open Questions and Future Challenges in Molecular Dynamics Simulations
- (2016) Gabriele C. Sosso et al. CHEMICAL REVIEWS
- Global transition path search for dislocation formation in Ge on Si(001)
- (2016) E. Maras et al. COMPUTER PHYSICS COMMUNICATIONS
- 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
- (2016) Sandeep K. Reddy et al. JOURNAL OF CHEMICAL PHYSICS
- Ice–Water Interfacial Free Energy for the TIP4P, TIP4P/2005, TIP4P/Ice, and mW Models As Obtained from the Mold Integration Technique
- (2016) Jorge R. Espinosa et al. Journal of Physical Chemistry C
- Free energy contributions and structural characterization of stacking disordered ices
- (2016) Arpa Hudait et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Dislocation mechanism for transformation between cubic ice Icand hexagonal ice Ih
- (2015) T. Hondoh PHILOSOPHICAL MAGAZINE
- Stacking disorder in ice I
- (2015) Tamsin L. Malkin et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Direct calculation of ice homogeneous nucleation rate for a molecular model of water
- (2015) Amir Haji-Akbari et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- First principles phonon calculations in materials science
- (2015) Atsushi Togo et al. SCRIPTA MATERIALIA
- The structure of water around the compressibility minimum
- (2014) L. B. Skinner et al. JOURNAL OF CHEMICAL PHYSICS
- The mold integration method for the calculation of the crystal-fluid interfacial free energy from simulations
- (2014) J. R. Espinosa et al. JOURNAL OF CHEMICAL PHYSICS
- Coarse-Graining of TIP4P/2005, TIP4P-Ew, SPC/E, and TIP3P to Monatomic Anisotropic Water Models Using Relative Entropy Minimization
- (2014) Jibao Lu et al. Journal of Chemical Theory and Computation
- 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
- (2014) Liam C. Jacobson et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Systematic Improvement of a Classical Molecular Model of Water
- (2013) Lee-Ping Wang et al. JOURNAL OF PHYSICAL CHEMISTRY B
- The microstructure of polar ice. Part I: Highlights from ice core research
- (2013) Sérgio H. Faria et al. JOURNAL OF STRUCTURAL GEOLOGY
- Crystallization, Melting, and Structure of Water Nanoparticles at Atmospherically Relevant Temperatures
- (2012) Jessica C. Johnston et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Coarse-grained molecular models of water: a review
- (2012) Kevin R. Hadley et al. MOLECULAR SIMULATION
- Structure of ice crystallized from supercooled water
- (2012) T. L. Malkin et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Extent and relevance of stacking disorder in "ice Ic"
- (2012) W. F. Kuhs et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Thermodynamic, Diffusional, and Structural Anomalies in Rigid-Body Water Models
- (2011) Manish Agarwal et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Is it cubic? Ice crystallization from deeply supercooled water
- (2011) Emily B. Moore et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Simulating water with rigid non-polarizable models: a general perspective
- (2011) Carlos Vega et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Ice crystallization in water’s “no-man’s land”
- (2010) Emily B. Moore et al. JOURNAL OF CHEMICAL PHYSICS
- Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool
- (2009) Alexander Stukowski MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
- What ice can teach us about water interactions: a critical comparison of the performance of different water models
- (2008) C. Vega et al. FARADAY DISCUSSIONS
- Water Modeled As an Intermediate Element between Carbon and Silicon†
- (2008) Valeria Molinero et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Direct Calculation of Solid-Liquid Interfacial Free Energy for Molecular Systems: TIP4P Ice-Water Interface
- (2008) Richard Handel et al. PHYSICAL REVIEW LETTERS
- Nuclear Quantum Effects in Water
- (2008) Joseph A. Morrone et al. PHYSICAL REVIEW LETTERS
- A space–time-ensemble parallel nudged elastic band algorithm for molecular kinetics simulation
- (2007) Aiichiro Nakano COMPUTER PHYSICS COMMUNICATIONS
Publish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn MoreCreate your own webinar
Interested in hosting your own webinar? Check the schedule and propose your idea to the Peeref Content Team.
Create Now