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physics.comp-ph2026
Relaxation of Incommensurate Structures via Quantum Models
Mengfan Tu, Huajie Chen, Daniel Massatt
Accurately modeling structural relaxation in incommensurate systems is intrinsically challenging due to the absence of global translational symmetry. In this work, we develop a var…
physics.comp-ph2025
A high-order regularized delta-Chebyshev method for computing spectral densities
Jinjing Yi, Daniel Massatt, Andrew Horning +3
We introduce a numerical method for computing spectral densities, and apply it to the evaluation of the local density of states (LDOS) of sparse Hamiltonians derived from tight-bin…
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. Machi…