English

MoireStudio: A Universal Twisted Electronic Structure Calculation Package

Materials Science 2026-05-27 v1

Abstract

Twistronics is an emerging and captivating field in condensed matter physics and material science. However, accurately and efficiently calculating the electronic structures of twisted systems remains a significant challenge. To address this, 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 for 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. User-friendly and easy to use, MoireStudio supports parallel large-scale computations, provides visualization capabilities, and offers interfaces with third-party software. It is poised to become a convenient and powerful tool for researchers in twistronics fields.

Keywords

Cite

@article{arxiv.2602.09739,
  title  = {MoireStudio: A Universal Twisted Electronic Structure Calculation Package},
  author = {Junxi Yu and Yichen Liu and Cheng-Cheng Liu},
  journal= {arXiv preprint arXiv:2602.09739},
  year   = {2026}
}

Comments

21 pages, 9 figures

R2 v1 2026-07-01T10:29:39.126Z