46 citations · 48 across the 2 of their papers we have counts for
3 papers
Machine-learned Interatomic Potentials for Alloys and Alloy Phase Diagrams
Conrad W. Rosenbrock, Konstantin Gubaev, Alexander V. Shapeev +4
We introduce machine-learned potentials for Ag-Pd to describe the energy of alloy configurations over a wide range of compositions. We compare two different approaches. Moment tens…
Constant-pressure nested sampling with atomistic dynamics
Robert J. N. Baldock, Noam Bernstein, K. Michael Salerno +2
The nested sampling algorithm has been shown to be a general method for calculating the pressure-temperature-composition phase diagrams of materials. While the previous implementat…
Polytypism in the ground state structure of the Lennard-Jonesium
Lívia B. Pártay, Christoph Ortner, Albert P. Bartók +2
We present a systematic study of the stability of nineteen different periodic structures using the finite range Lennard-Jones potential model discussing the effects of pressure, po…