Lin, Peize

1. Large-scale ab initio simulations based on systematically improvable atomic basis
   2015/02/28 by Pengfei Li, Xiaohui Liu, Li, Pengfei +13 · 15 citations
   Materials Science · Physics and Astronomy · #Electron and X-Ray Spectroscopy Techniques #Surface and Thin Film Phenomena #Machine Learning in Materials Science
2. Molecular Property Prediction: A Multilevel Quantum Interactions Modeling Perspective
   2019/06/25 by Chengqiang Lu, Lu, Chengqiang, Qi Liu +9 · 4 citations
   Materials Science · Computer Science · Chemistry · #Machine Learning in Materials Science #Computational Drug Discovery Methods #Various Chemistry Research Topics
3. ABACUS: An Electronic Structure Analysis Package for the AI Era
   2025/01/15 by Zhou, Weiqing, Zheng, Daye, Liu, Qianrui +55 · 4 citations
   #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Mesoscale and Nanoscale Physics (cond-mat.mes-hall)
4. Efficient Hybrid Density Functional Calculations for Large Periodic Systems Using Numerical Atomic Orbitals
   2020/09/26 by Peize Lin, Lin, Peize, Xinguo Ren +3 · 2 citations
   Chemistry · Physics and Astronomy · #Advanced NMR Techniques and Applications #Advanced Chemical Physics Studies #Physics of Superconductivity and Magnetism
5. Sub-quadratic scaling real-space random-phase approximation correlation energy calculations for periodic systems with numerical atomic orbitals
   2023/07/22 by Rong Shi, Peize Lin, Shi, Rong +7 · 1 citation
   Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Machine Learning in Materials Science #X-ray Diffraction in Crystallography
6. LibRPA: A Software Package for Low-scaling First-principles Calculations of Random Phase Approximation Electron Correlation Energy Based on Numerical Atomic Orbitals
   2024/07/29 by Rong Shi, Shi, Rong, Min‐Ye Zhang +7 · 1 citation
   Materials Science · Physics and Astronomy · #Electron and X-Ray Spectroscopy Techniques #Machine Learning in Materials Science #Advanced Chemical Physics Studies
7. Efficient hybrid-functional-based force and stress calculations for periodic systems with thousands of atoms
   2024/12/15 by Peize Lin, Lin, Peize, Yuyang Ji +5 · 2 citations
   Engineering · Materials Science · #Advanced ceramic materials synthesis #Boron and Carbon Nanomaterials Research #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Fiber-reinforced polymer composites