Xinguo Ren
- Large-scale ab initio simulations based on systematically improvable atomic basis
2015/02/28 by Pengfei Li, Li, Pengfei, Xiaohui Liu +13 · 15 citations
Materials Science · Physics and Astronomy · #Electron and X-Ray Spectroscopy Techniques #Surface and Thin Film Phenomena #Machine Learning in Materials Science
- Roadmap on Advancements of the FHI-aims Software Package
2025/04/30 by Joseph W. Abbott, Abbott, Joseph W., Carlos Mera Acosta +405 · 3 voices · 7 citations
#cond-mat.mtrl-sci #physics.chem-ph
- Renormalized Second-order Perturbation Theory for The Electron Correlation Energy: Concept, Implementation, and Benchmarks
2012/12/15 by Xinguo Ren, Ren, Xinguo, Patrick Rinke +5 · 2 citations
Physics and Astronomy · Engineering · #Advanced Chemical Physics Studies #Spectroscopy and Quantum Chemical Studies #Molecular Junctions and Nanostructures
- Localized resolution of identity approach to the analytical gradients of random-phase approximation ground-state energy: algorithm and benchmarks
2021/09/02 by Muhammad Nawaz Tahir, Tahir, Muhammad N., Tong Zhu +9 · 2 citations
Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Nuclear Materials and Properties #Quantum, superfluid, helium dynamics
- All-Electron BSE@GW Method with Numeric Atom-Centered Orbitals for Extended Periodic Systems
2024/12/30 by Ruiyi Zhou, Yi Yao, Volker Blüm +2 · 1 voice · 3 citations
Physics and Astronomy · Materials Science · #Advanced Chemical Physics Studies #Electron and X-Ray Spectroscopy Techniques #X-ray Diffraction in Crystallography
- Efficient Hybrid Density Functional Calculations for Large Periodic Systems Using Numerical Atomic Orbitals
2020/09/26 by Peize Lin, Xinguo Ren, Lin, Peize +3 · 2 citations
Chemistry · Physics and Astronomy · #Advanced NMR Techniques and Applications #Advanced Chemical Physics Studies #Physics of Superconductivity and Magnetism
- Sub-quadratic scaling real-space random-phase approximation correlation energy calculations for periodic systems with numerical atomic orbitals
2023/07/22 by Rong Shi, Shi, Rong, Peize Lin +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
- 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
- Efficient hybrid-functional-based force and stress calculations for periodic systems with thousands of atoms
2024/12/15 by Peize Lin, Yuyang Ji, Lin, Peize +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
- Iterative minimization in reduced density matrix functional theory for periodic systems
2026/07/30 by Kai Luo, Jingang Han, Peize Lin +3
Physics and Astronomy · #cond-mat.str-el