Sheng Guo
Sheng Guo
Verified email at princeton.edu
TitleCited byYear
PySCF: the Python‐based simulations of chemistry framework
Q Sun, TC Berkelbach, NS Blunt, GH Booth, S Guo, Z Li, J Liu, ...
Wiley Interdisciplinary Reviews: Computational Molecular Science 8 (1), e1340, 2018
1482018
N-Electron Valence State Perturbation Theory Based on a Density Matrix Renormalization Group Reference Function, with Applications to the Chromium Dimer and a Trimer …
S Guo, MA Watson, W Hu, Q Sun, GKL Chan
Journal of chemical theory and computation 12 (4), 1583-1591, 2016
912016
Towards the solution of the many-electron problem in real materials: equation of state of the hydrogen chain with state-of-the-art many-body methods
M Motta, DM Ceperley, GKL Chan, JA Gomez, E Gull, S Guo, ...
Physical Review X 7 (3), 031059, 2017
662017
Coordination-induced weakening of ammonia, water, and hydrazine X–H bonds in a molybdenum complex
MJ Bezdek, S Guo, PJ Chirik
Science 354 (6313), 730-733, 2016
542016
Density matrix renormalization group (DMRG) method as a common tool for large active-space CASSCF/CASPT2 calculations
N Nakatani, S Guo
The Journal of Chemical Physics 146 (9), 094102, 2017
312017
Terpyridine molybdenum dinitrogen chemistry: synthesis of dinitrogen complexes that vary by five oxidation states
MJ Bezdek, S Guo, PJ Chirik
Inorganic chemistry 55 (6), 3117-3127, 2016
292016
A projected approximation to strongly contracted N-electron valence perturbation theory for DMRG wavefunctions
M Roemelt, S Guo, GKL Chan
The Journal of chemical physics 144 (20), 204113, 2016
282016
Combining internally contracted states and matrix product states to perform multireference perturbation theory
S Sharma, G Knizia, S Guo, A Alavi
Journal of chemical theory and computation 13 (2), 488-498, 2017
252017
Multistate Complete-Active-Space Second-Order Perturbation Theory Based on Density Matrix Renormalization Group Reference States
T Yanai, M Saitow, XG Xiong, J Chalupský, Y Kurashige, S Guo, ...
Journal of chemical theory and computation 13 (10), 4829-4840, 2017
202017
Time-dependent N-electron valence perturbation theory with matrix product state reference wavefunctions for large active spaces and basis sets: Applications to the chromium …
AY Sokolov, S Guo, E Ronca, GKL Chan
The Journal of chemical physics 146 (24), 244102, 2017
192017
The python-based simulations of chemistry framework (PySCF)
Q Sun, TC Berkelbach, NS Blunt, GH Booth, S Guo, Z Li, J Liu, J McClain, ...
arXiv preprint arXiv:1701.08223, 2017
182017
A Perturbative Density Matrix Renormalization Group Algorithm for Large Active Spaces
S Guo, Z Li, GKL Chan
Journal of chemical theory and computation 14 (8), 4063-4071, 2018
102018
Wiley Interdiscip. Rev.: Comput. Mol. Sci. 8, e1340 (2018)
Q Sun, TC Berkelbach, NS Blunt, GH Booth, S Guo, Z Li, J Liu, ...
10
Wiley Interdiscip. Rev.: Comput. Mol. Sci. 8, e1340 (2017)
Q Sun, TC Berkelbach, NS Blunt, GH Booth, S Guo, Z Li, J Liu, ...
8
Communication: An efficient stochastic algorithm for the perturbative density matrix renormalization group in large active spaces
S Guo, Z Li, GKL Chan
The Journal of chemical physics 148 (22), 221104, 2018
62018
The Python-based Simulations of Chemistry Framework (PySCF), 2017
Q Sun, TC Berkelbach, NS Blunt, GH Booth, S Guo, Z Li, J Liu, J McClain, ...
arXiv preprint arXiv:1701.08223, 0
6
The electronic landscape of the P-cluster of nitrogenase
Z Li, S Guo, Q Sun, GK Chan
arXiv preprint arXiv:1810.10196, 2018
22018
An efficient stochastic algorithm for the perturbative density matrix renormalization group in large active spaces
S Guo, Z Li, GK Chan
arXiv preprint arXiv:1803.09943, 2018
22018
Electronic landscape of the P-cluster of nitrogenase as revealed through many-electron quantum wavefunction simulations
Z Li, S Guo, Q Sun, GKL Chan
Nature Chemistry 11 (11), 1026-1033, 2019
12019
Direct comparison of many-body methods for realistic electronic Hamiltonians
KT Williams, Y Yao, J Li, L Chen, H Shi, M Motta, C Niu, U Ray, S Guo, ...
arXiv preprint arXiv:1910.00045, 2019
2019
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