activity
20212026
most citedDeep learning tight-binding approach for large-scale electronic simulations at finite temperatures with accuracy

53 citations · 56 across the 9 of their papers we have counts for

collaborators
Showing 2026 · cond-mat.mtrl-sciShow all

1 paper · 2 filters

cond-mat.mtrl-sci2026

Accelerating Atom Simulations with Variable-Block Sparse Matrix Library

Zhanghao Zhouyin, Hong Guo

Modern atomistic simulations increasingly employ localized orbitals to represent quantum operators, yielding sparse block matrices whose block shapes vary with chemical species and…