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physics.comp-ph2026
Learning a general class of admissible multi-species collision operators from molecular dynamics
Yue Zhao, Andrew Christlieb, Huan Lei
We develop a structure-preserving, data-driven collision operator for spatially homogeneous multi-species kinetic systems from molecular dynamics (MD). The operator consists of dia…
physics.comp-ph2025
Data-driven construction of a generalized kinetic collision operator from molecular dynamics
Yue Zhao, Joshua W. Burby, Andrew Christlieb +1
We introduce a data-driven approach to learn a generalized kinetic collision operator directly from molecular dynamics. Unlike the conventional (e.g., Landau) models, the present o…