MoireStudio: A universal twisted electronic structure calculation package

Published: 11 June 2026| Version 1 | DOI: 10.17632/8ct5fj6b56.1
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Description

Twistronics is an emerging field in condensed matter physics and materials science. However, accurate and efficient calculations of the electronic structures of twisted systems remains a significant challenge. To address this issue, we have developed MoireStudio, a universal Python-based computational package for twisted electronic structures. Its functionalities include commensurate-structure search, structure generation, parameterization, and construction of tight-binding models and continuum models, and the precise incorporation of full relaxation effects. The package is applicable to arbitrary combinations of two-dimensional materials, including rectangular lattices and heterostructures. MoireStudio is user-friendly, supports parallel large-scale computations, provides visualization capabilities, and offers interfaces with third-party software. It is designed to serve as a convenient and powerful tool for researchers in twistronics fields.

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Condensed Matter Physics, Computational Physics

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