Fast Neural Network Approach for Direct Covariant Forces Prediction in Complex Multi-Element Extended Systems
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
Nonadiabatic Ehrenfest molecular dynamics within the projector augmented-wave method: The Journal of Chemical Physics: Vol 136, No 14
Atomic force microscopy technique used for assessment of the anti-arthritic effect of licochalcone A via suppressing NF-κB activation - ScienceDirect
PDF) Efficient training of ANN potentials by including atomic forces via Taylor expansion and application to water and a transition-metal oxide
Quantifying the evolution of atomic interaction of a complex surface with a functionalized atomic force microscopy tip | Scientific Reports
The oxygen-oxygen-oxygen triplet angular distribution and tetrahedral... | Download Scientific Diagram
First-principles simulations of atomic geometries, electronic properties and chemical reactions at interfaces
Figure 1 from Globally-Optimized Local Pseudopotentials for (Orbital-Free) Density Functional Theory Simulations of Liquids and Solids. | Semantic Scholar
Effect of an acetylene bond on hydrogen adsorption in diamond-like carbon allotropes: from first principles to atomic simulation - Physical Chemistry Chemical Physics (RSC Publishing)
Atomistic Simulations of Pure Tin Based on a New Modified Embedded-Atom Method Interatomic Potential
Efficient training of ANN potentials by including atomic forces via Taylor expansion and application to water and a transition-metal oxide | npj Computational Materials
Efficient training of ANN potentials by including atomic forces via Taylor expansion and application to water and a transition-metal oxide | npj Computational Materials
arXiv:1905.02794v2 [cond-mat.mtrl-sci] 21 Aug 2019
Quantifying the evolution of atomic interaction of a complex surface with a functionalized atomic force microscopy tip | Scientific Reports
Lattice dynamics simulation using machine learning interatomic potentials - ScienceDirect
A fast neural network approach for direct covariant forces prediction in complex multi-element extended systems | Nature Machine Intelligence
Molecular Dynamics Simulation: From “Ab Initio” to “Coarse Grained” | SpringerLink
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
Atomic Interactions - Interaction Potential | Atomic Bonding | Van der Waals Force - PhET Interactive Simulations
PDF) Physically informed artificial neural networks for atomistic modeling of materials
Orbital-free density functional theory implementation with the projector augmented-wave method: The Journal of Chemical Physics: Vol 141, No 23
