Chenchen Song

Assistant Professor

University of California, Davis

United States

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Articles (11)

A Polarizable QM/MM Model That Combines the State-Averaged CASSCF and AMOEBA Force Field for Photoreactions in Proteins

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Year:

2024

New physical insights into the supporting subspace factorization of XMS-CASPT2 and generalization to multiple spin states via spin-free formulation

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Year:

2024

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

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Year:

2023

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

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Year:

2022

Erratum: “Geometry optimization made simple with explicit translation and rotation coordinates” [J. Chem. Phys. 144, 214108 (2016)]

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Year:

2022

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

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Year:

2021

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

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Year:

2021

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

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Year:

2020

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

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Year:

2020

TeraChem: Accelerating electronic structure and ab initio molecular dynamics with graphical processing units

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Year:

2020

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

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Year:

2020

Collaborators (3)

Lee-Ping Wang

Associate Professor

University of California, Davis

UNITED STATES

Xin Li

KTH Royal Institute of Technology

SWEDEN

Christoph Bannwarth

RWTH Aachen University

GERMANY

Chenchen Song

Research Interests

Explore related searches

Contact this professor

Articles (11)

A Polarizable QM/MM Model That Combines the State-Averaged CASSCF and AMOEBA Force Field for Photoreactions in Proteins

New physical insights into the supporting subspace factorization of XMS-CASPT2 and generalization to multiple spin states via spin-free formulation

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

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

Erratum: “Geometry optimization made simple with explicit translation and rotation coordinates” [J. Chem. Phys. 144, 214108 (2016)]

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

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

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

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

TeraChem: Accelerating electronic structure and ab initio molecular dynamics with graphical processing units

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

Collaborators (3)

Lee-Ping Wang

Xin Li

Christoph Bannwarth

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