Weakly perturbative imaging of interfacial water with submolecular resolution by atomic force microscopy | Nature Communications
Metals | Free Full-Text | 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
Using Neural Network Force Fields to Ascertain the Quality of Ab Initio Simulations of Liquid Water | The Journal of Physical Chemistry B
On-the-fly active learning of interpretable Bayesian force fields for atomistic rare events | npj Computational Materials
A universal strategy for the creation of machine learning-based atomistic force fields | npj Computational Materials
Machine Learning Force Fields: Construction, Validation, and Outlook | The Journal of Physical Chemistry C
Atomic-scale regulation of anionic and cationic migration in alkali metal batteries | Nature Communications
Quantifying the evolution of atomic interaction of a complex surface with a functionalized atomic force microscopy tip | Scientific Reports
Atoms In Motion - Atoms In Motion - Chapter 5 - MD
Efficient and universal characterization of atomic structures through a topological graph order parameter | npj Computational Materials
Introduction to the Atomic Simulation Environment | Robert B. Wexler, PhD
Obtaining Detailed Structural Information about Supramolecular Systems on Surfaces by Combining High-Resolution Force Microscopy with ab Initio Calculations | ACS Nano
Molecular dynamics simulation of atomic friction: A review and guide: Journal of Vacuum Science & Technology A: Vol 31, No 3
Introduction to atomic scale simulations
Simulation tools for atom probe tomography: A path for diagnosis and treatment of image degradation - ScienceDirect
Construction of accurate machine learning force fields for copper and silicon dioxide
Molecules | Free Full-Text | Optimized Atomic Partial Charges and Radii Defined by Radical Voronoi Tessellation of Bulk Phase Simulations
Mapping the elastic properties of two-dimensional MoS2 via bimodal atomic force microscopy and finite element simulation | npj Computational Materials
Active learning of reactive Bayesian force fields applied to heterogeneous catalysis dynamics of H/Pt | Nature Communications
Atoms In Motion - Atoms In Motion - Chapter 5 - MD
color online) Accuracy of the frozen-core PAW method. The energy of... | Download Scientific Diagram
Frontiers | Atomic positions and displacements in piezoelectric materials Ca3TaGa3Si2O14 and Ca3TaGa1.5Al1.5Si2O14 investigated by Ta-Lα X-ray fluorescence holography
Modeling atomic layer deposition of alumina using reactive force field molecular dynamics | SpringerLink
Development of neural network potential for MD simulation and its application to TiN - ScienceDirect
