Quantifying exchange forces of a spin spiral on the atomic scale | Nature Communications
Quantifying the evolution of atomic interaction of a complex surface with a functionalized atomic force microscopy tip | Scientific Reports
A fast neural network approach for direct covariant forces prediction in complex multi-element extended systems | Nature Machine Intelligence
color online) Top view of Cu(001) surface-layer-atoms, second-layer... | Download Scientific Diagram
First-principles simulations of atomic geometries, electronic properties and chemical reactions at interfaces
Quantifying the evolution of atomic interaction of a complex surface with a functionalized atomic force microscopy tip | Scientific Reports
Literature — GPAW
Molecular Dynamics Simulation: From “Ab Initio” to “Coarse Grained” | SpringerLink
Efficient training of ANN potentials by including atomic forces via Taylor expansion and application to water and a transition-metal oxide | npj Computational Materials
56 questions with answers in PSEUDOPOTENTIAL | Science topic
Nonadiabatic Ehrenfest molecular dynamics within the projector augmented-wave method: The Journal of Chemical Physics: Vol 136, No 14
PDF) Efficient training of ANN potentials by including atomic forces via Taylor expansion and application to water and a transition-metal oxide
Lattice dynamics simulation using machine learning interatomic potentials - ScienceDirect
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
Atomic Interactions - Interaction Potential | Atomic Bonding | Van der Waals Force - PhET Interactive Simulations
Orbital-free density functional theory implementation with the projector augmented-wave method: The Journal of Chemical Physics: Vol 141, No 23
Modeling atomic force microscopy at LiNbO3 surfaces from first-principles - ScienceDirect
Atomistic Simulations of Pure Tin Based on a New Modified Embedded-Atom Method Interatomic Potential
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)
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
Molecular Dynamics Simulation: From “Ab Initio” to “Coarse Grained” | SpringerLink
