Related references
Note: Only part of the references are listed.A deep learning interatomic potential developed for atomistic simulation of carbon materials
Jinjin Wang et al.
CARBON (2022)
Sulfur-enhanced dynamics of coinage metal(111) surfaces: Step edges versus terraces as locations for metal-sulfur complex formation
Da-Jiang Liu et al.
JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A (2022)
Azo(xy) vs Aniline Selectivity in Catalytic Nitroarene Reduction by Intermetallics: Experiments and Simulations
Carena L. Daniels et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2021)
Robust, Multi-Length-Scale, Machine Learning Potential for Ag-Au Bimetallic Alloys from Clusters to Bulk Materials
Christopher M. Andolina et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2021)
Structural Inhibition of Silver Surface Oxidation
Marie E. Turano et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2021)
Oxygen-induced surface reconstructions on curved Ag(111)
Marie E. Turano et al.
JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A (2021)
Improved Al-Mg alloy surface segregation predictions with a machine learning atomistic potential
Christopher M. Andolina et al.
PHYSICAL REVIEW MATERIALS (2021)
Optimization and validation of a deep learning CuZr atomistic potential: Robust applications for crystalline and amorphous phases with near-DFT accuracy
Christopher M. Andolina et al.
JOURNAL OF CHEMICAL PHYSICS (2020)
Coinage Metal-Sulfur Complexes: Stability on Metal(111) Surfaces and in the Gas Phase
Jiyoung Lee et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2019)
Reshaping, Intermixing, and Coarsening for Metallic Nanocrystals: Nonequilibrium Statistical Mechanical and Coarse-Grained Modeling
King C. Lai et al.
CHEMICAL REVIEWS (2019)
DeePMD-kit: A deep learning package for many-body potential energy representation and molecular dynamics
Han Wang et al.
COMPUTER PHYSICS COMMUNICATIONS (2018)
Enhanced Mass Transfer in the Step Edge Induced Oxidation on Cu(100) Surface
Qing Zhu et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2017)
The atomic simulation environment-a Python library for working with atoms
Ask Hjorth Larsen et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2017)
Formation of Two-Dimensional Copper Selenide on Cu(111) at Very Low Selenium Coverage
Holly Walen et al.
CHEMPHYSCHEM (2016)
Comparison of S-adsorption on (111) and (100) facets of Cu nanoclusters
Jeffery S. Boschen et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
Perspective: Machine learning potentials for atomistic simulations
Joerg Behler
JOURNAL OF CHEMICAL PHYSICS (2016)
Step-Edge Directed Metal Oxidation
Qing Zhu et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2016)
Reconstruction of steps on the Cu(111) surface induced by sulfur
Holly Walen et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
Search for the Structure of a Sulfur-Induced Reconstruction on Cu(111)
Da-Jiang Liu et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2014)
Adsorbate-enhanced transport of metals on metal surfaces: Oxygen and sulfur on coinage metals
Patricia A. Thiel et al.
JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A (2010)
Accelerated coarsening of Ag adatom islands on Ag(111) due to trace amounts of S: Mass-transport mediated by Ag-S complexes
Mingmin Shen et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Ab initio molecular dynamics:: Concepts, recent developments, and future trends
R Iftimie et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2005)
Enhanced self-diffusion on Cu(111) by trace amounts of S: Chemical-reaction-limited kinetics
WL Ling et al.
PHYSICAL REVIEW LETTERS (2004)
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
G Henkelman et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
Formation and diffusion of S-decorated Cu clusters onc Cu(111)
PJ Feibelman
PHYSICAL REVIEW LETTERS (2000)