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cs.AI2024★ 2 cited
Towards a Knowledge Graph for Models and Algorithms in Applied Mathematics
Björn Schembera, Frank Wübbeling, Hendrik Kleikamp +8
Mathematical models and algorithms are an essential part of mathematical research data, as they are epistemically grounding numerical data. In order to represent models and algorit…
physics.comp-ph2024
FSSH-2: Fewest Switches Surface Hopping with robust switching probability
Leonardo Araujo, Caroline Lasser, Burkhard Schmidt
This study introduces the FSSH-2 scheme, a redefined and numerically stable adiabatic Fewest Switches Surface Hopping (FSSH) method for mixed quantum-classical dynamics. It reformu…