158 citations · 206 across the 3 of their papers we have counts for
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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…
On the performance of interatomic potential models of iron: comparison of the phase diagrams
Livia B. Partay
In order to study the performance of interatomic potentials and their reliability at higher pressures, the phase diagram of four different embedded-atom type potential models of ir…
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…