3 papers
cs.AI2025
SwarmThinkers: Learning Physically Consistent Atomic KMC Transitions at Scale
Qi Li, Kun Li, Haozhi Han +6
Can a scientific simulation system be physically consistent, interpretable by design, and scalable across regimes--all at once? Despite decades of progress, this trifecta remains e…
cs.CE2025
SparStencil: Retargeting Sparse Tensor Cores to Scientific Stencil Computations via Structured Sparsity Transformation
Qi Li, Kun Li, Haozhi Han +7
Sparse Tensor Cores offer exceptional performance gains for AI workloads by exploiting structured 2:4 sparsity. However, their potential remains untapped for core scientific worklo…
cond-mat.mtrl-sci2025
ABACUS: An Electronic Structure Analysis Package for the AI Era
Weiqing Zhou, Daye Zheng, Qianrui Liu +55
ABACUS (Atomic-orbital Based Ab-initio Computation at USTC) is an open-source software for first-principles electronic structure calculations and molecular dynamics simulations. It…