Jia Chen
Jia Chen
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Recent developments in the PySCF program package
Q Sun, X Zhang, S Banerjee, P Bao, M Barbry, NS Blunt, NA Bogdanov, ...
The Journal of chemical physics 153 (2), 024109, 2020
Electronic structure and bonding properties of cobalt oxide in the spinel structure
J Chen, X Wu, A Selloni
Physical Review B 83 (24), 245204, 2011
Adsorption and reactions of O2 on anatase TiO2
YF Li, U Aschauer, J Chen, A Selloni
Accounts of chemical research 47 (11), 3361-3368, 2014
Chemical Dynamics of the First Proton-Coupled Electron Transfer of Water Oxidation on TiO2 Anatase
J Chen, YF Li, P Sit, A Selloni
Journal of the American Chemical Society 135 (50), 18774-18777, 2013
Peroxide and superoxide states of adsorbed O2 on anatase TiO2 (101) with subsurface defects
U Aschauer, J Chen, A Selloni
Phys. Chem. Chem. Phys. 12 (40), 12956-12960, 2010
Electronic states and magnetic structure at the Co 3 O 4 (110) surface: A first-principles study
J Chen, A Selloni
Physical Review B 85 (8), 085306, 2012
First Principles Study of Cobalt (Hydr) oxides under Electrochemical Conditions
J Chen, A Selloni
The Journal of Physical Chemistry C 117 (39), 20002-20006, 2013
Water Adsorption and Oxidation at the Co3O4 (110) Surface
J Chen, A Selloni
The Journal of Physical Chemistry Letters 3 (19), 2808-2814, 2012
Origin of Selectivity Switch in Fischer− Tropsch Synthesis over Ru and Rh from First-Principles Statistical Mechanics Studies
J Chen, ZP Liu
Journal of the American Chemical Society 130 (25), 7929-7937, 2008
Density functional plus dynamical mean-field theory of the spin-crossover molecule Fe (phen) 2 (NCS) 2
J Chen, AJ Millis, CA Marianetti
Physical Review B 91 (24), 241111, 2015
Single-crystal-to-single-crystal intercalation of a low-bandgap superatomic crystal
ES O'Brien, MT Trinh, RL Kann, J Chen, GA Elbaz, A Masurkar, TL Atallah, ...
Nature chemistry 9 (12), 1170-1174, 2017
Azobenzene‐Derived Surfactants as Phototriggered Recyclable Templates for the Synthesis of Ordered Mesoporous Silica Nanospheres
J Wei, Y Liu, J Chen, Y Li, Q Yue, G Pan, Y Yu, Y Deng, D Zhao
Advanced Materials 26 (11), 1782-1787, 2014
Oxidation State Changes and Electron Flow in Enzymatic Catalysis and Electrocatalysis through Wannier‐Function Analysis
PHL Sit, F Zipoli, J Chen, R Car, MH Cohen, A Selloni
Chemistry-A European Journal 17 (43), 12136-12143, 2011
Decoherence in Molecular Electron Spin Qubits: Insights from Quantum Many-Body Simulations
J Chen, C Hu, JF Stanton, S Hill, HP Cheng, XG Zhang
The Journal of Physical Chemistry Letters 11 (6), 2074-2078, 2020
Quantum-Inspired Algorithm for the Factorized Form of Unitary Coupled Cluster Theory
J Chen, HP Cheng, JK Freericks
Journal of Chemical Theory and Computation 17 (2), 841-847, 2021
Three Jahn-Teller states of matter in spin-crossover system Mn (taa)
JX Yu, DT Chen, J Gu, J Chen, J Jiang, L Zhang, Y Yu, XG Zhang, ...
Physical Review Letters 124 (22), 227201, 2020
Intermolecular coupling and superconductivity in and other Chevrel phase compounds
J Chen, AJ Millis, DR Reichman
Physical Review Materials 2 (11), 114801, 2018
Generalized quadrature for finite temperature Green’s function methods
J Gu, J Chen, Y Wang, XG Zhang
Computer Physics Communications 253, 107178, 2020
Flexibility of the factorized form of the unitary coupled cluster Ansatz
J Chen, HP Cheng, JK Freericks
The Journal of Chemical Physics 156 (4), 044106, 2022
Low-Depth Unitary Coupled Cluster Theory for Quantum Computation
J Chen, HP Cheng, JK Freericks
arXiv preprint arXiv:2109.14134, 2021
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