2 papers
physics.comp-ph2018
Comparing optimization strategies for force field parameterization
Fatih G. Sen, Badri Narayanan, Jeffrey Larson +7
Classical molecular dynamics (MD) simulations enable modeling of materials and examination of microscopic details that are not accessible experimentally. The predictive capability…
cond-mat.mtrl-sci2016
In-situ 3D Imaging of Catalysis Induced Strain in Gold Nanoparticles
Andrew Ulvestad, Kiran Sasikumar, Jong Woo Kim +9
Multi-electron transfer processes, such as hydrogen and oxygen evolution reactions, are crucially important in energy and biological science but require favorable catalysts to achi…