198 citations · 592 across the 21 of their papers we have counts for
Showing 2012 · cond-mat.mtrl-sciShow all
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cond-mat.mtrl-sci2012★ 31 cited
Rapid Production of Accurate Embedded-Atom Method Potentials for Metal Alloys
Logan Ward, Anupriya Agrawal, Katharine M. Flores +1
The most critical limitation to the wide-scale use of classical molecular dynamics for alloy design is the availability of suitable interatomic potentials. In this work, we demonst…
cond-mat.mtrl-sci2012★ 38 cited
Fast Free Energy Calculations for Unstable High-Temperature Phases
Nikolas Antolin, Oscar D. Restrepo, Wolfgang Windl
We present a fast and accurate method to calculate vibrational properties for mechanically unstable high temperature phases that suffer from imaginary frequencies at zero temperatu…