415 citations · 1.1k across the 20 of their papers we have counts for
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The transformative capability of quantum-accurate machine learning interatomic potentials
Alfredo A. Correa, Sebastien Hamel
Many materials's properties and phase boundaries are generally not well known under extreme pressure and temperature conditions. This is a consequence of the scarcity of experiment…
Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems
Nicolas Tancogne-Dejean, Micael J. T. Oliveira, Xavier Andrade +31
Over the last years extraordinary advances in experimental and theoretical tools have allowed us to monitor and control matter at short time and atomic scales with a high-degree of…
High temperature ion-thermal behavior from average-atom calculations
Damian C. Swift, Mandy Bethkenhagen, Alfredo A. Correa +5
Atom-in-jellium calculations of the Einstein frequency were used to calculate the mean displacement of an ion over a wide range of compression and temperature. Expressed as a fract…