Estimation of Solid-Liquid Coexistence Curve for Coarse-grained Water Models through Reliable Free Energy Method

Stability and Metastability of Liquid Water in a Machine-Learned Coarse-Grained Model with Short-Range Interactions

(2022) Debdas Dhabal et al.   Journal of Physical Chemistry B

Temperature-dependent dynamic structure factors for liquid water inferred from inelastic neutron scattering measurements

(2021) G. Noguere et al.   JOURNAL OF CHEMICAL PHYSICS

Signatures of a liquid–liquid transition in an ab initio deep neural network model for water

(2020) Thomas E. Gartner et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Experimental observation of the liquid-liquid transition in bulk supercooled water under pressure

(2020) Kyung Hwan Kim et al.   SCIENCE

Machine learning coarse grained models for water

(2019) Henry Chan et al.   Nature Communications

Radial distribution functions of water: Models vs experiments

(2019) Gaia Camisasca et al.   JOURNAL OF CHEMICAL PHYSICS

Potential energy landscape of TIP4P/2005 water

(2018) Philip H. Handle et al.   JOURNAL OF CHEMICAL PHYSICS

Entropy based fingerprint for local crystalline order

(2017) Pablo M. Piaggi et al.   JOURNAL OF CHEMICAL PHYSICS

Role of stacking disorder in ice nucleation

(2017) Laura Lupi et al.   NATURE

Supercooled and glassy water: Metastable liquid(s), amorphous solid(s), and a no-man’s land

(2017) Philip H. Handle et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Maxima in the thermodynamic response and correlation functions of deeply supercooled water

(2017) Kyung Hwan Kim et al.   SCIENCE

Water: A Tale of Two Liquids

(2016) Paola Gallo et al.   CHEMICAL REVIEWS

Relationship between the line of density anomaly and the lines of melting, crystallization, cavitation, and liquid spinodal in coarse-grained water models

(2016) Jibao Lu et al.   JOURNAL OF CHEMICAL PHYSICS

Two-state thermodynamics and the possibility of a liquid-liquid phase transition in supercooled TIP4P/2005 water

(2016) Rakesh S. Singh et al.   JOURNAL OF CHEMICAL PHYSICS

Free energy contributions and structural characterization of stacking disordered ices

(2016) Arpa Hudait et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Interfacial Free Energy as the Key to the Pressure-Induced Deceleration of Ice Nucleation

(2016) Jorge R. Espinosa et al.   PHYSICAL REVIEW LETTERS

Water Freezing and Ice Melting

(2015) Edyta Małolepsza et al.   Journal of Chemical Theory and Computation

Melting transition of Lennard-Jones fluid in cylindrical pores

(2014) Chandan K. Das 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

Oscillatory Melting Temperature of Stockmayer Fluid in Slit Pores

(2014) Chandan K. Das et al.   Journal of Physical Chemistry C

Theory of amorphous ices

(2014) David T. Limmer et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Understanding water’s anomalies with locally favoured structures

(2014) John Russo et al.   Nature Communications

The liquid–liquid transition in supercooled ST2 water: a comparison between umbrella sampling and well-tempered metadynamics

(2013) Jeremy C. Palmer et al.   FARADAY DISCUSSIONS

Effect of confinement on the solid-liquid coexistence of Lennard-Jones Fluid

(2013) Chandan K. Das et al.   JOURNAL OF CHEMICAL PHYSICS

Melting transition of confined Lennard-Jones solids in slit pores

(2013) Chandan K. Das et al.   THEORETICAL CHEMISTRY ACCOUNTS

Structure of the Clathrate/Solution Interface and Mechanism of Cross-Nucleation of Clathrate Hydrates

(2012) Andrew H. Nguyen et al.   Journal of Physical Chemistry C

Coarse-grained molecular models of water: a review

(2012) Kevin R. Hadley et al.   MOLECULAR SIMULATION

Interplay of the Glass Transition and the Liquid-Liquid Phase Transition in Water

(2012) Nicolas Giovambattista et al.   Scientific Reports

Entropy-driven liquid–liquid separation in supercooled water

(2012) V. Holten et al.   Scientific Reports

A simple, efficient polarizable coarse-grained water model for molecular dynamics simulations

(2011) Sereina Riniker et al.   JOURNAL OF CHEMICAL PHYSICS

Structural transformation in supercooled water controls the crystallization rate of ice

(2011) Emily B. Moore et al.   NATURE

The study of melting stage of bulk silicon using molecular dynamics simulation

(2011) S.L. Zhang et al.   PHYSICA B-CONDENSED MATTER

Homogeneous ice nucleation from supercooled water

(2011) Tianshu Li et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Is it cubic? Ice crystallization from deeply supercooled water

(2011) Emily B. Moore et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A New Coarse-Grained Model for Water: The Importance of Electrostatic Interactions

(2010) Zhe Wu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Amorphous Precursors in the Nucleation of Clathrate Hydrates

(2010) Liam C. Jacobson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Growing correlation length in supercooled water

(2009) Emily B. Moore et al.   JOURNAL OF CHEMICAL PHYSICS

Thermodynamic Stability and Growth of Guest-Free Clathrate Hydrates: A Low-Density Crystal Phase of Water

(2009) Liam C. Jacobson et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Anomalies in water as obtained from computer simulations of the TIP4P/2005 model: density maxima, and density, isothermal compressibility and heat capacity minima

(2009) Helena L. Pi et al.   MOLECULAR PHYSICS

Anomalous waterlike behavior in spherically-symmetric water models optimized with the relative entropy

(2009) Aviel Chaimovich et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Water Modeled As an Intermediate Element between Carbon and Silicon†

(2008) Valeria Molinero et al.   JOURNAL OF PHYSICAL CHEMISTRY B