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physics.comp-ph2019★ 1 cited
Simulating diffusion properties of solid-state electrolytes via a neural network potential: Performance and training scheme
Aris Marcolongo, Tobias Binninger, Federico Zipoli +1
The recently published DeePMD model (https://github.com/deepmodeling/deepmd-kit), based on a deep neural network architecture, brings the hope of solving the time-scale issue which…
physics.comp-ph2019
Gauge optimization of time series for thermal-transport simulations
Aris Marcolongo, Loris Ercole, Stefano Baroni
Thermal and other transport coefficients were recently shown to be largely independent of the microscopic representation of the energy (current) densities or, more generally, of th…