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Chenchen Song
Chenchen Song
Verified email at ucdavis.edu
Title
Cited by
Cited by
Year
TeraChem: A graphical processing unit‐accelerated electronic structure package for large‐scale ab initio molecular dynamics
S Seritan, C Bannwarth, BS Fales, EG Hohenstein, CM Isborn, ...
Wiley Interdisciplinary Reviews: Computational Molecular Science 11 (2), e1494, 2021
2722021
Geometry optimization made simple with translation and rotation coordinates
LP Wang, C Song
The Journal of chemical physics 144 (21), 214108, 2016
2342016
TeraChem: Accelerating electronic structure and ab initio molecular dynamics with graphical processing units
S Seritan, C Bannwarth, BS Fales, EG Hohenstein, ...
The Journal of Chemical Physics 152 (22), 224110, 2020
1252020
Theory of charge transport in carbon electronic materials
Z Shuai, L Wang, C Song
Springer Science & Business Media, 2012
1212012
Automated code engine for graphical processing units: Application to the effective core potential integrals and gradients
C Song, LP Wang, TJ Martínez
Journal of chemical theory and computation 12 (1), 92-106, 2016
782016
Atomic orbital-based SOS-MP2 with tensor hypercontraction. I. GPU-based tensor construction and exploiting sparsity
C Song, TJ Martínez
The Journal of chemical physics 144 (17), 174111, 2016
662016
Analytic first derivatives of floating occupation molecular orbital-complete active space configuration interaction on graphical processing units
EG Hohenstein, MEF Bouduban, C Song, N Luehr, IS Ufimtsev, ...
The Journal of chemical physics 143 (1), 014111, 2015
582015
Reduced scaling CASPT2 using supporting subspaces and tensor hyper-contraction
C Song, TJ Martínez
The Journal of Chemical Physics 149 (4), 044108, 2018
442018
Atomic orbital-based SOS-MP2 with tensor hypercontraction. II. Local tensor hypercontraction
C Song, TJ Martínez
The Journal of Chemical Physics 146 (3), 034104, 2017
412017
Analytical gradients for tensor hyper-contracted MP2 and SOS-MP2 on graphical processing units
C Song, TJ Martínez
The Journal of Chemical Physics 147 (16), 161723, 2017
302017
Reduced scaling formulation of CASPT2 analytical gradients using the supporting subspace method
C Song, JB Neaton, TJ Martínez
The Journal of Chemical Physics 154 (1), 014103, 2021
272021
Reduced scaling extended multi-state CASPT2 (XMS-CASPT2) using supporting subspaces and tensor hyper-contraction
C Song, TJ Martínez
The Journal of Chemical Physics 152 (23), 234113, 2020
252020
Efficient implementation of effective core potential integrals and gradients on graphical processing units
C Song, LP Wang, T Sachse, J Preiß, M Presselt, TJ Martínez
The Journal of chemical physics 143 (1), 014114, 2015
242015
Bond-Order Time Series Analysis for Detecting Reaction Events in Ab Initio Molecular Dynamics Simulations
M Hutchings, J Liu, Y Qiu, C Song, LP Wang
Journal of Chemical Theory and Computation 16 (3), 1606-1617, 2020
192020
Molecular Structure, Spectroscopy, and Photoinduced Kinetics in Trinuclear Cyanide Bridged Complex in Solution: A First-Principles Perspective
Z Zheng, AK Manna, HP Hendrickson, M Hammer, C Song, E Geva, ...
Journal of the American Chemical Society 136 (49), 16954-16957, 2014
152014
State-averaged CASSCF with polarizable continuum model for studying photoreactions in solvents: Energies, analytical nuclear gradients, and non-adiabatic couplings
C Song
The Journal of Chemical Physics 156 (10), 104102, 2022
82022
State averaged CASSCF in AMOEBA polarizable water model for simulating nonadiabatic molecular dynamics with nonequilibrium solvation effects
C Song
The Journal of Chemical Physics 158 (1), 014101, 2023
72023
A diagrammatic approach for automatically deriving analytical gradients of tensor hyper-contracted electronic structure methods
C Song, TJ Martínez, JB Neaton
The Journal of Chemical Physics 155 (2), 024108, 2021
62021
Car–Parrinello Monitor for More Robust Born–Oppenheimer Molecular Dynamics
LP Wang, C Song
Journal of Chemical Theory and Computation 15 (8), 4454-4467, 2019
42019
A Polarizable QM/MM Model That Combines the State-Averaged CASSCF and AMOEBA Force Field for Photoreactions in Proteins
C Song, LP Wang
Journal of Chemical Theory and Computation, 2024
32024
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Articles 1–20