Sun, Qiming
- The Python-based Simulations of Chemistry Framework (PySCF)
2017/01/27 by Qiming Sun, Sun, Qiming, Timothy C. Berkelbach +21 · 97 citations
Materials Science · Physics and Astronomy · Engineering · #Machine Learning in Materials Science #Advanced Chemical Physics Studies #Surface Chemistry and Catalysis
- Libcint: An efficient general integral library for Gaussian basis functions
2014/12/01 by Qiming Sun, Sun, Qiming · 23 citations
Chemistry · Physics and Astronomy · #Advanced Chemical Physics Studies #Advanced NMR Techniques and Applications #Atomic and Subatomic Physics Research #Chemical Physics (physics.chem-ph) #FOS: Physical sciences
- OpenFermion: The Electronic Structure Package for Quantum Computers
2017/10/20 by McClean, Jarrod R., Sung, Kevin J., Kivlichan, Ian D. +32 · 23 citations
#Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Quantum Physics (quant-ph)
- Alchemy: A Quantum Chemistry Dataset for Benchmarking AI Models
2019/06/22 by Guangyong Chen, Pengfei Chen, Chen, Guangyong +21 · 11 citations
Materials Science · Computer Science · Biochemistry, Genetics and Molecular Biology · #Machine Learning in Materials Science #Computational Drug Discovery Methods #Metabolomics and Mass Spectrometry Studies
- Gaussian-based coupled-cluster theory for the ground state and band structure of solids
2017/01/17 by McClain, James, Sun, Qiming, Chan, Garnet Kin-Lic +1 · 6 citations
#Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci)
- Introducing GPU-acceleration into the Python-based Simulations of Chemistry Framework
2024/07/12 by Rui Li, Li, Rui, Qiming Sun +5 · 9 citations
Chemistry · #Various Chemistry Research Topics
- Enhancing GPU-acceleration in the Python-based Simulations of Chemistry Framework
2024/04/15 by Xiaojie Wu, Qiming Sun, Wu, Xiaojie +25 · 8 citations
Computer Science · Engineering · Materials Science · #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Innovative Microfluidic and Catalytic Techniques Innovation #Machine Learning in Materials Science #Parallel Computing and Optimization Techniques #Quantum Physics (quant-ph)
- Stochastic multi-configurational self-consistent field theory
2015/10/13 by Thomas, Robert E., Sun, Qiming, Alavi, Ali +1 · 1 citation
#Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Strongly Correlated Electrons (cond-mat.str-el)
- Co-iterative augmented Hessian method for orbital optimization
2016/10/26 by Sun, Qiming · 1 citation
#Chemical Physics (physics.chem-ph) #FOS: Physical sciences
- Quantum computation of conical intersections on a programmable superconducting quantum processor
2024/02/20 by Zhao, Shoukuan, Tang, Diandong, Xiao, Xiaoxiao +7 · 1 citation
#FOS: Physical sciences #Quantum Physics (quant-ph)
- Towards A Transferable Acceleration Method for Density Functional Theory
2025/09/30 by Zhe Liu, Liu, Zhe, Yuyan Ni +9 · 2 citations
Engineering · #Artificial Intelligence (cs.AI) #Chemical Physics (physics.chem-ph) #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Phase Equilibria and Thermodynamics