most citedABACUS: An Electronic Structure Analysis Package for the AI Era

1 citations · 1 across the 5 of their papers we have counts for

collaborators

6 papers

cs.RO2026

Efficient World Action Model Inference with Adaptive Intermediate States

Zhinnan Liu, Haozhi Han, Ruge Zhang +8

World Action Models (WAMs) enable future-aware control by jointly modeling actions and environment dynamics. However, iterative diffusion or flow inference incurs substantial denoi…

cs.DC2026

MakoXC: Rearchitecting DFT Exchange-Correlation with Matrix-Aligned and Knowledge-Organized Sparsity

Haozhi Han, Fusong Ju, Jing Bai +8

Density Functional Theory (DFT) is indispensable for materials science and drug discovery, yet the exchange--correlation (XC) evaluation remains a major bottleneck due to its cubic…

cs.DC2026

Unfolding an Atomistic World: Atomistic Simulation of Reactor Pressure Vessel Steel Across Year-and-Meter Scales

Haozhi Han, Ruge Zhang, Haoquan Chen +8

Lifetime prediction of reactor pressure vessel (RPV) steel requires bridging atomistic degradation mechanisms with service-scale spatial and temporal regimes, from Angstroms and pi…

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★ 1 cited

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…