Garnet Kin‐Lic Chan
- Recent developments in the PySCF program package
2020/07/09 by Qiming Sun, Xing Zhang, Samragni Banerjee +53 · 165 citations
Chemical Engineering · Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Catalysis and Oxidation Reactions #Machine Learning in Materials Science
- The Python-based Simulations of Chemistry Framework (PySCF)
2017/01/27 by Qiming Sun, Timothy C. Berkelbach, Sun, Qiming +21 · 104 citations
Materials Science · Physics and Astronomy · Engineering · #Machine Learning in Materials Science #Advanced Chemical Physics Studies #Surface Chemistry and Catalysis
- Matrix Product Operators, Matrix Product States, and ab initio Density Matrix Renormalization Group algorithms
2016/05/09 by Garnet Kin‐Lic Chan, Chan, Garnet Kin-Lic, Anna Keselman +7 · 8 citations
Mathematics · Physics and Astronomy · #Advanced Topics in Algebra #Algebraic structures and combinatorial models #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Physics of Superconductivity and Magnetism #Quantum Physics (quant-ph) #Quantum many-body systems #Strongly Correlated Electrons (cond-mat.str-el)
- Simulating quantum circuit expectation values by Clifford perturbation theory
2023/06/07 by Tomislav Begušić, Begušić, Tomislav, Kasra Hejazi +3 · 10 citations
Computer Science · Engineering · Physics and Astronomy · #FOS: Physical sciences #Low-power high-performance VLSI design #Quantum Computing Algorithms and Architecture #Quantum Physics (quant-ph) #Quantum and electron transport phenomena
- Spiers Memorial Lecture: Quantum chemistry, classical heuristics, and quantum advantage
2024/01/01 by Garnet Kin‐Lic Chan · 1 voice · 6 citations
Computer Science · Physics and Astronomy · #Quantum Computing Algorithms and Architecture #Quantum Information and Cryptography #Quantum many-body systems
- 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
- A time-dependent formulation of coupled cluster theory for many-fermion systems at finite temperature
2018/07/26 by Alec F. White, Garnet Kin‐Lic Chan, White, Alec F. +1 · 3 citations
Physics and Astronomy · #Physics of Superconductivity and Magnetism #Quantum many-body systems #Advanced Chemical Physics Studies
- Excited state geometry optimization with the density matrix renormalization group as applied to polyenes
2015/02/26 by Weifeng Hu, Hu, Weifeng, Garnet Kin‐Lic Chan +1 · 1 citation
Physics and Astronomy · Chemistry · #Spectroscopy and Quantum Chemical Studies #Photochemistry and Electron Transfer Studies #Advanced Chemical Physics Studies
- Adiabatic quantum imaginary time evolution
2023/08/07 by Kasra Hejazi, Hejazi, Kasra, Mário Motta +3 · 2 citations
Computer Science · #FOS: Physical sciences #Neural Networks and Reservoir Computing #Quantum Computing Algorithms and Architecture #Quantum Information and Cryptography #Quantum Physics (quant-ph)
- Automatic transformation of irreducible representations for efficient contraction of tensors with cyclic group symmetry
2020/07/16 by Yang Gao, Gao, Yang, Phillip Helms +5 · 1 citation
Physics and Astronomy · Computer Science · #Quantum many-body systems #Parallel Computing and Optimization Techniques #Physics of Superconductivity and Magnetism
- Convergence Analysis of the Stochastic Resolution of Identity: Comparing Hutchinson to Hutch++ for the Second-Order Green's Function
2024/04/18 by Leopoldo Mejía, Mejía, Leopoldo, Sandeep Sharma +7 · 2 citations
Physics and Astronomy · #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Opinion Dynamics and Social Influence
- AB-G0W0: A practical G0W0 method without frequency integration based on an auxiliary boson expansion
2023/11/30 by Johannes Tölle, Garnet Kin‐Lic Chan, Tölle, Johannes +1 · 2 citations
Chemistry · Physics and Astronomy · #Advanced Chemical Physics Studies #Advanced NMR Techniques and Applications #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Molecular Spectroscopy and Structure
- Towards Neural Variational Monte Carlo That Scales Linearly with System Size
2022/12/21 by Or Sharir, Garnet Kin‐Lic Chan, Sharir, Or +3 · 1 citation
Computer Science · Materials Science · Physics and Astronomy · #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science #Neural and Evolutionary Computing (cs.NE) #Quantum Physics (quant-ph) #Quantum many-body systems #Topic Modeling
- An ab initio correction vector restricted active space approach to the L-edge XAS and 2p3d RIXS spectra of transition metal clusters
2023/05/14 by Seunghoon Lee, Lee, Seunghoon, Huanchen Zhai +3 · 1 citation
Biochemistry, Genetics and Molecular Biology · Materials Science · Physics and Astronomy · #Chemical Physics (physics.chem-ph) #Enzyme Structure and Function #FOS: Physical sciences #Protein Structure and Dynamics #X-ray Spectroscopy and Fluorescence Analysis
- Efficient Implementation of the Random Phase Approximation with Domain-based Local Pair Natural Orbitals
2024/11/11 by Liang Yu, Xing Zhang, Liang, Yu Hsuan +7 · 2 citations
Computer Science · #Speech Recognition and Synthesis #Advanced Image and Video Retrieval Techniques #Handwritten Text Recognition Techniques
- An Analysis of First- and Quasi-Second-Order Optimization Algorithms in Variational Monte Carlo
2025/02/26 by Ruojing Peng, Garnet Kin‐Lic Chan, Peng, Ruojing +1 · 2 citations
Engineering · #Advanced Numerical Analysis Techniques #Disordered Systems and Neural Networks (cond-mat.dis-nn) #FOS: Physical sciences #Manufacturing Process and Optimization #Radiative Heat Transfer Studies #Strongly Correlated Electrons (cond-mat.str-el)
- Efficient Implementation of the Random Phase Approximation with Domain-Based Local Pair Natural Orbitals
2025/03/05 by Yu Hsuan Liang, Xing Zhang, Garnet Kin‐Lic Chan +2 · 1 voice · 1 citation
Physics and Astronomy · #Quantum, superfluid, helium dynamics #Statistical Mechanics and Entropy