George H. Booth
- Recent developments in the PySCF program package
2020/07/09 by Qiming Sun, Xing Zhang, Samragni Banerjee +53 · 219 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, Sun, Qiming, Timothy C. Berkelbach +21 · 158 citations
Materials Science · Physics and Astronomy · Engineering · #Machine Learning in Materials Science #Advanced Chemical Physics Studies #Surface Chemistry and Catalysis
- Spectral functions of strongly correlated extended systems via an exact quantum embedding
2013/09/30 by George H. Booth, Garnet Kin-Lic Chan · 1 citation
Physics and Astronomy · #cond-mat.mtrl-sci #cond-mat.str-el #physics.comp-ph
- Stochastic multi-configurational self-consistent field theory
2015/10/13 by Robert E. Thomas, Qiming Sun, Thomas, Robert E. +5 · 1 citation
Physics and Astronomy · #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Strongly Correlated Electrons (cond-mat.str-el) #cond-mat.str-el #physics.chem-ph #physics.comp-ph
- Simple Fermionic backflow states via a systematically improvable tensor decomposition
2024/07/16 by Massimo Bortone, Yannic Rath, Bortone, Massimo +3 · 3 citations
Computer Science · Physics and Astronomy · #Chemical Physics (physics.chem-ph) #Computational Physics and Python Applications #FOS: Physical sciences #Particle physics theoretical and experimental studies #Quantum Chromodynamics and Particle Interactions #Quantum Physics (quant-ph) #Strongly Correlated Electrons (cond-mat.str-el)
- Advancing Surface Chemistry with Large-Scale Ab-Initio Quantum Many-Body Simulations
2024/12/24 by Zigeng Huang, Huang, Zigeng, Changsu Cao +12 · 1 citation
Engineering · Materials Science · Physics and Astronomy · #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci) #Molecular Junctions and Nanostructures #Surface and Thin Film Phenomena