4 papers
Extreme-Scale Atomistic Simulation of Real-Temperature Magnetic Skyrmion Dynamics by Coupled Spin-Lattice Modeling
Pin Chen, Cheng-bing Chen, Hai Liu +9
Real-temperature topological magnetic dynamics in functional materials is governed by coupled lattice and spin evolution, yet remains inaccessible to predictive simulation at devic…
Equivariant Diffusion for Crystal Structure Prediction
Peijia Lin, Pin Chen, Rui Jiao +6
In addressing the challenge of Crystal Structure Prediction (CSP), symmetry-aware deep learning models, particularly diffusion models, have been extensively studied, which treat CS…
PolyKAN: Efficient Fused GPU Operators for Polynomial Kolmogorov-Arnold Network Variants
Mingkun Yu, Heming Zhong, Dan Huang +2
Kolmogorov-Arnold Networks (KANs) promise higher expressive capability and stronger interpretability than Multi-Layer Perceptron, particularly in the domain of AI for Science. Howe…
HPC-AI Coupling Methodology for Scientific Applications
Yutong Lu, Dan Huang, Pin Chen
Artificial intelligence (AI) technologies have fundamentally transformed numerical-based high-performance computing (HPC) applications with data-driven approaches and endeavored to…