34 citations · 60 across the 13 of their papers we have counts for
4 papers · 1 filter
Fast and stable deep-learning predictions of material properties for solid solution alloys
Massimiliano Lupo Pasini, Ying Wai Li, Junqi Yin +3
We present a novel deep learning (DL) approach to produce highly accurate predictions of macroscopic physical properties of solid solution binary alloys and magnetic systems. The m…
Histogram-Free Multicanonical Monte Carlo Sampling to Calculate the Density of States
Alfred C. K. Farris, Ying Wai Li, Markus Eisenbach
We report a new multicanonical Monte Carlo algorithm to obtain the density of states for physical systems with continuous state variables in statistical mechanics. Our algorithm is…
Combined Molecular and Spin Dynamics Simulation of BCC Iron with Vacancy Defects
Mark Mudrick, Markus Eisenbach, Dilina Perera +1
Utilizing an atomistic computational model which handles both translational and spin degrees of freedom, combined molecular and spin dynamics simulations have been performed to inv…
A histogram-free multicanonical Monte Carlo algorithm for the basis expansion of density of states
Ying Wai Li, Markus Eisenbach
We report a new multicanonical Monte Carlo (MC) algorithm to obtain the density of states (DOS) for physical systems with continuous state variables in statistical mechanics. Our a…