Related references
Note: Only part of the references are listed.Development and Validation of Versatile Deep Atomistic Potentials for Metal Oxides
Pandu Wisesa et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2023)
Wrinkles, Ridges, Miura-Ori, and Moire Patterns in MoSe2 Using Neural Networks
Anikeya Aditya et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2023)
Machine Learning Assisted Simulations of Electrochemical Interfaces: Recent Progress and Challenges
Yipeng Zhou et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2023)
Quantum Machine Learning in Materials Prediction: A Case Study on ABO(3) Perovskite Structures
Mosayeb Naseri et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2023)
Nature of the Superionic Phase Transition of Lithium Nitride from Machine Learning Force Fields
Gabriel Krenzer et al.
CHEMISTRY OF MATERIALS (2023)
Neural Network Potentials: A Concise Overview of Methods
Emir Kocer et al.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY (2022)
Optimizing the Catalytic Activity of Pd-Based Multinary Alloys toward Oxygen Reduction Reaction
Wissam A. Saidi
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2022)
LAMMPS-a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales
Aidan P. Thompson et al.
COMPUTER PHYSICS COMMUNICATIONS (2022)
Emergence of local scaling relations in adsorption energies on high-entropy alloys
Wissam A. Saidi
NPJ COMPUTATIONAL MATERIALS (2022)
Electron-Volt Fluctuation of Defect Levels in Metal Halide Perovskites on a 100 ps Time Scale
Bipeng Wang et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2022)
Melting temperature prediction via first principles and deep learning
Qi-Jun Hong
COMPUTATIONAL MATERIALS SCIENCE (2022)
Experimentally Driven Automated Machine-Learned Interatomic Potential for a Refractory Oxide
Ganesh Sivaraman et al.
PHYSICAL REVIEW LETTERS (2021)
Optimization of High-Entropy Alloy Catalyst for Ammonia Decomposition and Ammonia Synthesis
Wissam A. Saidi et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2021)
The Rise of Neural Networks for Materials and Chemical Dynamics
Maksim Kulichenko et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2021)
Optimization and validation of a deep learning CuZr atomistic potential: Robust applications for crystalline and amorphous phases with near-DFT accuracy
Christopher M. Andolina et al.
JOURNAL OF CHEMICAL PHYSICS (2020)
Long-Lived Hot Electron in a Metallic Particle for Plasmonics and Catalysis: Ab Initio Nonadiabatic Molecular Dynamics with Machine Learning
Weibin Chu et al.
ACS NANO (2020)
Anharmonicity and Phase Diagram of Magnesium Oxide in the Megabar Regime
Francois Soubiran et al.
PHYSICAL REVIEW LETTERS (2020)
DFT Accurate Interatomic Potential for Molten NaCl from Machine Learning
Samuel Tovey et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2020)
SIMPLE-NN: An efficient package for training and executing neural-network interatomic potentials
Kyuhyun Lee et al.
COMPUTER PHYSICS COMMUNICATIONS (2019)
First-principles study of the melting temperature of MgO
Max Rang et al.
PHYSICAL REVIEW B (2019)
DeePMD-kit: A deep learning package for many-body potential energy representation and molecular dynamics
Han Wang et al.
COMPUTER PHYSICS COMMUNICATIONS (2018)
The melting points of MgO up to 4 TPa predicted based on ab initio thermodynamic integration molecular dynamics
Takashi Taniuchi et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2018)
Performance of various density-functional approximations for cohesive properties of 64 bulk solids
Guo-Xu Zhang et al.
NEW JOURNAL OF PHYSICS (2018)
Melting temperatures of MgO under high pressure by micro-texture analysis
T. Kimura et al.
NATURE COMMUNICATIONS (2017)
Uranus evolution models with simple thermal boundary layers
N. Nettelmann et al.
ICARUS (2016)
MOMENT TENSOR POTENTIALS: A CLASS OF SYSTEMATICALLY IMPROVABLE INTERATOMIC POTENTIALS
Alexander V. Shapeev
MULTISCALE MODELING & SIMULATION (2016)
Laser-shock compression of magnesium oxide in the warm-dense-matter regime
K. Miyanishi et al.
PHYSICAL REVIEW E (2015)
Shock Response and Phase Transitions of MgO at Planetary Impact Conditions
Seth Root et al.
PHYSICAL REVIEW LETTERS (2015)
High-pressure melting of MgO from (Mg,Fe)O solid solutions
Zhixue Du et al.
GEOPHYSICAL RESEARCH LETTERS (2014)
The solvation and ion condensation properties for sulfonated polyelectrolytes in different solvents-a computational study
J. Smiatek et al.
NEW JOURNAL OF PHYSICS (2014)
Ab initio simulations of MgO under extreme conditions
Daniel Cebulla et al.
PHYSICAL REVIEW B (2014)
Melting in super-earths
Lars Stixrude
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES (2014)
Demixing Instability in Dense Molten MgSiO3 and the Phase Diagram of MgO
Brian Boates et al.
PHYSICAL REVIEW LETTERS (2013)
New indication for a dichotomy in the interior structure of Uranus and Neptune from the application of modified shape and rotation data
N. Nettelmann et al.
PLANETARY AND SPACE SCIENCE (2013)
Phase Transformations and Metallization of Magnesium Oxide at High Pressure and Temperature
R. Stewart McWilliams et al.
SCIENCE (2012)
MgO phase diagram from first principles in a wide pressure-temperature range
A. B. Belonoshko et al.
PHYSICAL REVIEW B (2010)
Gaussian Approximation Potentials: The Accuracy of Quantum Mechanics, without the Electrons
Albert P. Bartok et al.
PHYSICAL REVIEW LETTERS (2010)
Melting behavior of (Mg,Fe)O solid solutions at high pressure
Li Zhang et al.
GEOPHYSICAL RESEARCH LETTERS (2008)
Accurate quasiparticle spectra from self-consistent GW calculations with vertex corrections
M. Shishkin et al.
PHYSICAL REVIEW LETTERS (2007)
Generalized neural-network representation of high-dimensional potential-energy surfaces
Joerg Behler et al.
PHYSICAL REVIEW LETTERS (2007)
First-principles modelling of Earth and planetary materials at high pressures and temperatures
M. J. Gillan et al.
REPORTS ON PROGRESS IN PHYSICS (2006)
First-principles calculations of the structural, dynamical, and electronic properties of liquid MgO
Bijaya B. Karki et al.
PHYSICAL REVIEW B (2006)
Internal structure of massive terrestrial planets
D Valencia et al.
ICARUS (2006)
Melting curve of MgO from first-principles simulations -: art. no. 235701
D Alfè
PHYSICAL REVIEW LETTERS (2005)
Melting of lithium hydride under pressure
T Ogitsu et al.
PHYSICAL REVIEW LETTERS (2003)
Ab initio quasiharmonic equations of state for dynamically stabilized soft-mode materials -: art. no. 184104
ND Drummond et al.
PHYSICAL REVIEW B (2002)