5 papers · 1 filter
MBFormer: A General Transformer-based Learning Paradigm for Many-body Interactions in Real Materials
Bowen Hou, Xian Xu, Jinyuan Wu +1
Recently, radical progress in machine learning (ML) has revolutionized computational materials science, enabling unprecedentedly rapid materials discovery and property prediction,…
Direct Observation of Massless Excitons and Linear Exciton Dispersion
Luna Y. Liu, Steffi Y. Woo, Jinyuan Wu +3
Excitons -- elementary excitations formed by bound electron-hole pairs -- govern the optical properties and excited-state dynamics of materials. In two-dimensions (2D), excitons ar…
Moiré-Tunable Localization of Simultaneous Type I and Type II Band Alignment in a MoSe2/WS2 Heterobilayer
Jiaxuan Guo, Zachary H. Withers, Ziling Li +9
Moiré heterobilayers exhibiting spatially varying band alignment and electron and hole localization that can be precisely controlled through the twist angle have emerged as exciti…
Real-Space Imaging of the Band Topology of Transition Metal Dichalcogenides
Madisen Holbrook, Julian Ingham, Daniel Kaplan +11
The topological properties of Bloch bands are intimately tied to the structure of their electronic wavefunctions within the unit cell of a crystal. Here, we show that scanning tunn…
Unsupervised Learning of Individual Kohn-Sham States: Interpretable Representations and Consequences for Downstream Predictions of Many-Body Effects
Bowen Hou, Jinyuan Wu, Diana Y. Qiu
Representation learning for the electronic structure problem is a major challenge of machine learning in computational condensed matter and materials physics. Within quantum mechan…