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All papers authored by Chenchen Song

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2023 Chenchen Song

State averaged CASSCF in AMOEBA polarizable water model for simulating nonadiabatic molecular dynamics with nonequilibrium solvation effects

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2022 Chenchen Song

State-averaged CASSCF with polarizable continuum model for studying photoreactions in solvents: Energies, analytical nuclear gradients, and non-adiabatic couplings

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2021 Chenchen Song

, Todd J. Martínez

, Jeffrey B. Neaton

A diagrammatic approach for automatically deriving analytical gradients of tensor hyper-contracted electronic structure methods

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This paper is made freely available by the publisher.

Chenchen Song

, Jeffrey B. Neaton

, Todd J. Martínez

Reduced scaling formulation of CASPT2 analytical gradients using the supporting subspace method

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2020 Stefan Seritan

, Christoph Bannwarth

, Bryan S. Fales

, Edward G. Hohenstein

, Christine M. Isborn, Sara I. L. Kokkila‐Schumacher

, Xin Li

, Fang Liu

, Nathan Luehr

, James W. Snyder, Chenchen Song

, Alexey V. Titov, Ivan S. Ufimtsev

, Lee‐Ping Wang

, Todd J. Martínez

TeraChem : A graphical processing unit ‐accelerated electronic structure package for large‐scale ab initio molecular dynamics

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Chenchen Song

, Todd J. Martínez

Reduced scaling extended multi-state CASPT2 (XMS-CASPT2) using supporting subspaces and tensor hyper-contraction

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Marshall Hutchings

, Johnson Liu, Yudong Qiu

, Chenchen Song

, Lee-Ping Wang

Bond-Order Time Series Analysis for Detecting Reaction Events in Ab Initio Molecular Dynamics Simulations

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2019 Lee-Ping Wang

, Chenchen Song

Car–Parrinello Monitor for More Robust Born–Oppenheimer Molecular Dynamics

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2018 Chenchen Song

, Todd J. Martínez

Reduced scaling CASPT2 using supporting subspaces and tensor hyper-contraction

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2017 Chenchen Song

, Todd J. Martínez

Analytical gradients for tensor hyper-contracted MP2 and SOS-MP2 on graphical processing units

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Chenchen Song

, Todd J. Martínez

Atomic orbital-based SOS-MP2 with tensor hypercontraction. II. Local tensor hypercontraction

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2016 Lee-Ping Wang

, Chenchen Song

Geometry optimization made simple with translation and rotation coordinates.

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Chenchen Song

, Todd J. Martínez

Atomic orbital-based SOS-MP2 with tensor hypercontraction. I. GPU-based tensor construction and exploiting sparsity

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2015 Chenchen Song

, Lee-Ping Wang, Todd J. Martínez

Automated Code Engine for Graphical Processing Units: Application to the Effective Core Potential Integrals and Gradients

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Chenchen Song

, Lee-Ping Wang, Torsten Sachse, Julia Preiß, Martin Presselt, Todd J. Martínez

Efficient implementation of effective core potential integrals and gradients on graphical processing units

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Edward G. Hohenstein, Marine E. F. Bouduban, Chenchen Song

, Nathan Luehr

, Ivan S. Ufimtsev, Todd J. Martínez

Analytic first derivatives of floating occupation molecular orbital-complete active space configuration interaction on graphical processing units

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2014 Zilong Zheng, Arun K. Manna, Heidi P. Hendrickson, Morgan Hammer, Chenchen Song

, Eitan Geva, Barry D. Dunietz

Molecular Structure, Spectroscopy, and Photoinduced Kinetics in Trinuclear Cyanide Bridged Complex in Solution: A First-Principles Perspective

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2012 Zhigang Shuai, Chenchen Song

, Linjun Wang

Theory of Charge Transport in Carbon Electronic Materials

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All papers authored by Chenchen Song