2 papers
cond-mat.mtrl-sci2026
Effective dynamic constants for nonequilibrium third-principles simulations
Mauro Pulzone, Iñigo Robredo-Magro, Jorge Ãñiguez-González
Computational studies of the thermodynamic properties of materials at the mesoscopic and macroscopic scales -- involving lengths and times of at least m and s, respectively…
cond-mat.mtrl-sci2025
Minimalist machine-learned interatomic potentials can predict complex structural behaviors accurately
Iñigo Robredo-Magro, Binayak Mukherjee, Hugo Aramberri +1
The past decade has witnessed a spectacular development of machine-learned interatomic potentials (MLIPs), to the extent that they are already the approach of choice for most atomi…