Efficient training of ANN potentials by including atomic forces via Taylor expansion and application to water and a transition-metal oxide | npj Computational Materials
Figure 1 from Globally-Optimized Local Pseudopotentials for (Orbital-Free) Density Functional Theory Simulations of Liquids and Solids. | Semantic Scholar
a) Solution enthalpy of Cr in Fe calculated with PAW as a function of... | Download Scientific Diagram
Efficient training of ANN potentials by including atomic forces via Taylor expansion and application to water and a transition-metal oxide | npj Computational Materials
Molecular Dynamics Simulation: From “Ab Initio” to “Coarse Grained” | SpringerLink
An experimentally validated neural-network potential energy surface for H- atom on free-standing graphene in full dimensionality - Physical Chemistry Chemical Physics (RSC Publishing)
Atomistic Simulations of Pure Tin Based on a New Modified Embedded-Atom Method Interatomic Potential
Atomic Interactions - Interaction Potential | Atomic Bonding | Van der Waals Force - PhET Interactive Simulations
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
Fast Neural Network Approach for Direct Covariant Forces Prediction in Complex Multi-Element Extended Systems
color online) Top view of Cu(001) surface-layer-atoms, second-layer... | Download Scientific Diagram
The oxygen-oxygen-oxygen triplet angular distribution and tetrahedral... | Download Scientific Diagram
Literature — GPAW
A fast neural network approach for direct covariant forces prediction in complex multi-element extended systems | Nature Machine Intelligence
Modeling materials using density functional theory
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
Modeling atomic force microscopy at LiNbO3 surfaces from first-principles - 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
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
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
Atomic force microscopy technique used for assessment of the anti-arthritic effect of licochalcone A via suppressing NF-κB activation - ScienceDirect
