236 citations · 1.7k across the 35 of their papers we have counts for
Showing 2019 · cond-mat.mtrl-sciShow all
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cond-mat.mtrl-sci2019★ 105 cited
Neural network based path collective variables for enhanced sampling of phase transformations
Jutta Rogal, Elia Schneider, Mark E. Tuckerman
We propose a rigorous construction of a 1D path collective variable to sample structural phase transformations in condensed matter. The path collective variable is defined in a spa…
cond-mat.mtrl-sci2019★ 13 cited
Discovery of -free high-temperature Ti-Ta-X shape memory alloys from first principles calculations
Alberto Ferrari, Alexander Paulsen, Dennis Langenkämper +6
The rapid degradation of the functional properties of many Ti-based alloys is due to the precipitation of the phase. In the conventional high-temperature shape memory alloy Ti-…