A DFT accurate machine learning description of molten ZnCl2 and its mixtures: 1. Potential development and properties prediction of molten ZnCl2

First-principles molecular dynamics simulations on the local structure and thermo-kinetic properties of molten magnesium chloride

(2019) Wenshuo Liang et al.   JOURNAL OF MOLECULAR LIQUIDS

DeePMD-kit: A deep learning package for many-body potential energy representation and molecular dynamics

(2018) Han Wang et al.   COMPUTER PHYSICS COMMUNICATIONS

Structure of ZnCl2 Melt. Part II: Fragile-to-Strong Transition in a Tetrahedral Liquid

(2017) Pierre Lucas et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Structure of ZnCl2 Melt. Part I: Raman Spectroscopy Analysis Driven by Ab Initio Methods

(2016) Abduljabar Q. Alsayoud et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Heat transfer fluids for concentrating solar power systems – A review

(2015) K. Vignarooban et al.   APPLIED ENERGY

Interatomic potentials for ionic systems with density functional accuracy based on charge densities obtained by a neural network

(2015) S. Alireza Ghasemi et al.   PHYSICAL REVIEW B

Thermal energy storage – overview and specific insight into nitrate salts for sensible and latent heat storage

(2015) Nicole Pfleger et al.   Beilstein Journal of Nanotechnology

Dynamic asymmetry of self-diffusion in liquid ZnCl2 under pressure: An ab initio molecular-dynamics study

(2013) Akihide Koura et al.   JOURNAL OF CHEMICAL PHYSICS

cp2k: atomistic simulations of condensed matter systems

(2013) Jürg Hutter et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Structure of liquid and glassyZnCl2

(2010) Anita Zeidler et al.   PHYSICAL REVIEW B

Gaussian Approximation Potentials: The Accuracy of Quantum Mechanics, without the Electrons

(2010) Albert P. Bartók et al.   PHYSICAL REVIEW LETTERS

PACKMOL: A package for building initial configurations for molecular dynamics simulations

(2009) L. Martínez et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Structural connectivity and ionic transport in molten ZnCl2: Optimization of chlorine interaction parameters

(2009) R. Ruberto et al.   PHYSICA B-CONDENSED MATTER

High-temperature phase change materials for thermal energy storage

(2009) Murat M. Kenisarin   RENEWABLE & SUSTAINABLE ENERGY REVIEWS