2 papers
cond-mat.mtrl-sci2025
Effects of training machine-learning potentials for radiation damage simulations using different pseudopotentials
A. Fellman, J. Byggmästar, F. Granberg +2
Machine learning (ML) has become a commonplace approach in the development of interatomic potentials for molecular dynamics simulations, and its use also for radiation effect model…
physics.comp-ph2025
Repulsive interatomic potentials calculated at three levels of theory
Kai Nordlund, Susi Lehtola, Gerhard Hobler
The high-energy repulsive interaction between nuclei at distances much smaller than the equilibrium bond length is the key quantity determining the nuclear stopping power and atom…