49 citations · 60 across the 3 of their papers we have counts for
Showing physics.comp-phShow all
2 papers · 1 filter
physics.comp-ph2019
Continuous and Optimally Complete Description of Chemical Environments Using Spherical Bessel Descriptors
Emir Kocer, Jeremy K. Mason, Hakan Erturk
Recently, machine learning potentials have been advanced as candidates to combine the high-accuracy of quantum mechanical simulations with the speed of classical interatomic potent…
physics.comp-ph2019★ 49 cited
A Novel Approach to Describe Chemical Environments in High Dimensional Neural Network Potentials
Emir Kocer, Jeremy K. Mason, Hakan Erturk
A central concern of molecular dynamics simulations are the potential energy surfaces that govern atomic interactions. These hypersurfaces define the potential energy of the system…