176 citations · 1.3k across the 25 of their papers we have counts for
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cond-mat.mtrl-sci2019★ 14 cited
Fully analytic valence force field model for the elastic and inner elastic properties of diamond and zincblende crystals
Daniel S. P. Tanner, Miguel A. Caro, Stefan Schulz +1
Using a valence force field model based on that introduced by Martin, we present three related methods through which we analytically determine valence force field parameters. The m…
cond-mat.mtrl-sci2019
Towards the computational experiment
Miguel A. Caro
We give a brief account of the current limitations and possibilities in the field of computational simulation of materials. We then focus on the effect that the emergence of machin…
physics.comp-ph2019★ 159 cited
Optimizing many-body atomic descriptors for enhanced computational performance of machine learning based interatomic potentials
Miguel A. Caro
We explore different ways to simplify the evaluation of the smooth overlap of atomic positions (SOAP) many-body atomic descriptor [Bartók et al., Phys. Rev. B 87, 184115 (2013)]. O…