27 citations · 37 across the 2 of their papers we have counts for
2 papers
physics.comp-ph2020★ 10 cited
EZFF: Python Library for Multi-Objective Parameterization and Uncertainty Quantification of Interatomic Forcefields for Molecular Dynamics
Aravind Krishnamoorthy, Ankit Mishra, Deepak Kamal +7
Parameterization of interatomic forcefields is a necessary first step in performing molecular dynamics simulations. This is a non-trivial global optimization problem involving quan…
cond-mat.mtrl-sci2020★ 27 cited
Growth kinetics and atomistic mechanisms of native oxidation of ZrSSe and MoS crystals
Seong Soon Jo, Akshay Singh, Liqiu Yang +14
A thorough understanding of native oxides is essential for designing semiconductor devices. Here we report a study of the rate and mechanisms of spontaneous oxidation of bulk singl…