2 papers
physics.chem-ph2026
Atomistic Modeling for Electro-chemical Reactions
K. Doblhoff-Dier, B. Ballotta, L. Bonati +16
Computational modeling plays a central role in advancing our understanding of electro-chemical reactions and may thus guide the rational development of sustainable energy technolog…
physics.chem-ph2026
Benchmarking short-range machine learning potentials for atomistic simulations of metal/electrolyte interfaces
Lucas B. T. de Kam, Jia-Xin Zhu, Ankit Mathanker +2
Atomistic simulations of electrochemical interfaces remain challenging due to the long time scales required to adequately sample the structure of the electric double layer. The eme…