8 papers
Numerical computation of the density of states of aperiodic multiscale Schrödinger operators
Eric Cancès, Daniel Massatt, Long Meng +2
Computing the electronic structure of incommensurate materials is a central challenge in condensed matter physics, requiring efficient ways to approximate spectral quantities such…
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…
Momentum Space Algorithm for Electronic Structure of Double-Incommensurate Trilayer Graphene
Ken Beard, Daniel Massatt
Numerical algorithms for computing electronic structure of incommensurate 2D materials using ab initio models is critical for predicting material properties and guiding experiment.…
Macroscopic approximation of tight-binding models near spectral degeneracies and validity for wave packet propagation
Guillaume Bal, Paul Cazeaux, Daniel Massatt +1
This paper concerns the derivation and validity of macroscopic descriptions of wave packets supported in the vicinity of degenerate points in the dispersion relation of tig…
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…
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…