An experimentally validated neural-network potential energy surface for H- atom on free-standing graphene in full dimensionality - Physical Chemistry Chemical Physics (RSC Publishing)
PDF) Efficient training of ANN potentials by including atomic forces via Taylor expansion and application to water and a transition-metal oxide
Nonadiabatic Ehrenfest molecular dynamics within the projector augmented-wave method: The Journal of Chemical Physics: Vol 136, No 14
Lattice dynamics simulation using machine learning interatomic potentials - ScienceDirect
Efficient training of ANN potentials by including atomic forces via Taylor expansion and application to water and a transition-metal oxide | npj Computational Materials
Quantifying the evolution of atomic interaction of a complex surface with a functionalized atomic force microscopy tip | Scientific Reports
56 questions with answers in PSEUDOPOTENTIAL | Science topic
PDF) Physically informed artificial neural networks for atomistic modeling of materials
Modeling materials using density functional theory
Efficient training of ANN potentials by including atomic forces via Taylor expansion and application to water and a transition-metal oxide | npj Computational Materials
Atomic force microscopy technique used for assessment of the anti-arthritic effect of licochalcone A via suppressing NF-κB activation - ScienceDirect
Water graphene contact surface investigated by pairwise potentials from force-matching PAW-PBE with dispersion correction: The Journal of Chemical Physics: Vol 146, No 5
Figure 1 from Globally-Optimized Local Pseudopotentials for (Orbital-Free) Density Functional Theory Simulations of Liquids and Solids. | Semantic Scholar
Efficient training of ANN potentials by including atomic forces via Taylor expansion and application to water and a transition-metal oxide | npj Computational Materials
A simple molecular mechanics potential for μm scale graphene simulations from the adaptive force matching method: The Journal of Chemical Physics: Vol 134, No 18
Quantifying exchange forces of a spin spiral on the atomic scale | Nature Communications
Modeling atomic force microscopy at LiNbO3 surfaces from first-principles - ScienceDirect
A fast neural network approach for direct covariant forces prediction in complex multi-element extended systems | Nature Machine Intelligence
Quantifying the evolution of atomic interaction of a complex surface with a functionalized atomic force microscopy tip | Scientific Reports
color online) Top view of Cu(001) surface-layer-atoms, second-layer... | Download Scientific Diagram
arXiv:2004.13158v2 [physics.comp-ph] 21 Sep 2020
Atomistic Simulations of Pure Tin Based on a New Modified Embedded-Atom Method Interatomic Potential
The oxygen-oxygen-oxygen triplet angular distribution and tetrahedral... | Download Scientific Diagram
Atomic Interactions - Interaction Potential | Atomic Bonding | Van der Waals Force - PhET Interactive Simulations
