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physics.comp-ph2025
An Atomic Cluster Expansion Potential for Twisted Multilayer Graphene
Yangshuai Wang, Drake Clark, Sambit Das +5
Twisted multilayer graphene, characterized by its moiré patterns arising from inter-layer rotational misalignment, serves as a rich platform for exploring quantum phenomena. Machin…
physics.comp-ph2025★ 1 cited
Many-Body Coarse-Grained Molecular Dynamics with the Atomic Cluster Expansion
Yangshuai Wang, Gabor Csanyi, Christoph Ortner
Molecular dynamics (MD) simulations provide detailed insight into atomic-scale mechanisms but are inherently restricted to small spatio-temporal scales. Coarse-grained molecular dy…