Troy Van Voorhis

发表

Incremental embedding: A density matrix embedding scheme for molecules.

Hong-Zhou Ye, Matthew Welborn, Nathan D Ricke, 2018, The Journal of chemical physics.

Constrained Density Functional Theory and Its Application in Long-Range Electron Transfer.

Qin Wu, Troy Van Voorhis, T. Van Voorhis, 2006, Journal of chemical theory and computation.

Bootstrap Embedding For Large Molecular Systems.

Hong-Zhou Ye, Troy Van Voorhis, Henry K Tran, 2020, Journal of chemical theory and computation.

Systematic Parametrization of Polarizable Force Fields from Quantum Chemistry Data.

Lee-Ping Wang, Troy Van Voorhis, Jiahao Chen, 2013, Journal of chemical theory and computation.

Benchmark Assessment of the Accuracy of Several van der Waals Density Functionals.

Troy Van Voorhis, Oleg A Vydrov, T. Van Voorhis, 2012, Journal of chemical theory and computation.

Q‐Chem 2.0: a high‐performance ab initio electronic structure program package

Jon Baker, Manabu Oumi, Christian Ochsenfeld, 2000, J. Comput. Chem..

Performance of Bootstrap Embedding for long-range interactions and 2D systems

Hong-Zhou Ye, Troy Van Voorhis, Matthew Welborn, 2017 .

Bootstrap embedding: An internally consistent fragment-based method.

Takashi Tsuchimochi, Matthew Welborn, Troy Van Voorhis, 2016, The Journal of chemical physics.

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

Alán Aspuru-Guzik, Michael W. Schmidt, Yan Zhao, 2014, Molecular Physics.

Maximizing TADF via Conformational Optimization.

Troy Van Voorhis, Changhae Andrew Kim, T. Van Voorhis, 2021, The journal of physical chemistry. A.

Machine Learning Dynamic Correlation in Chemical Kinetics

Troy Van Voorhis, Changhae Andrew Kim, Nathan D. Ricke, 2021 .

Density matrix embedding in an antisymmetrized geminal power bath.

Takashi Tsuchimochi, Matthew Welborn, Troy Van Voorhis, 2015, The Journal of chemical physics.

A Langevin equation approach to electron transfer reactions in the diabatic basis.

Troy Van Voorhis, Haobin Wang, T. Van Voorhis, 2008, The Journal of chemical physics.

Configuration interaction based on constrained density functional theory: a multireference method.

Qin Wu, Troy Van Voorhis, T. Van Voorhis, 2007, The Journal of chemical physics.

Charge transfer state versus hot exciton dissociation in polymer-fullerene blended solar cells.

Troy Van Voorhis, Koen Vandewal, Shane R. Yost, 2010, Journal of the American Chemical Society.

Simulation of solution phase electron transfer in a compact donor-acceptor dyad.

Lee-Ping Wang, Troy Van Voorhis, Tim Kowalczyk, 2011, The journal of physical chemistry. B.

Nonlocal van der Waals density functional: the simpler the better.

Troy Van Voorhis, Oleg A Vydrov, T. Van Voorhis, 2010, The Journal of chemical physics.

π-Clamp-mediated cysteine conjugation

Matthew Welborn, Troy Van Voorhis, T. Van Voorhis, 2015, Nature Chemistry.

Thermally Activated Delayed Fluorescence Materials Based on Homoconjugation Effect of Donor-Acceptor Triptycenes.

Tony Wu, Troy Van Voorhis, T. Van Voorhis, 2015, Journal of the American Chemical Society.

Electronic properties of disordered organic semiconductors via QM/MM simulations.

Lee-Ping Wang, Troy Van Voorhis, Shane R. Yost, 2010, Accounts of chemical research.

External Quantum Efficiency Above 100% in a Singlet-Exciton-Fission–Based Organic Photovoltaic Cell

Sebastian Reineke, Troy Van Voorhis, Shane R. Yost, 2013, Science.

A transferable model for singlet-fission kinetics.

Tony Wu, Troy Van Voorhis, Shane R. Yost, 2014, Nature chemistry.

Direct calculation of electron transfer parameters through constrained density functional theory.

Qin Wu, Troy Van Voorhis, T. Van Voorhis, 2006, The journal of physical chemistry. A.

Error analysis of free probability approximations to the density of states of disordered systems.

Alan Edelman, Jeremy M Moix, Alberto Suárez, 2012, Physical review letters.

Density-matrix renormalization-group algorithms with nonorthogonal orbitals and non-Hermitian operators, and applications to polyenes.

Garnet Kin-Lic Chan, Troy Van Voorhis, G. Chan, 2005, The Journal of chemical physics.

Nonlocal van der Waals density functional made simple.

Troy Van Voorhis, Oleg A Vydrov, T. Van Voorhis, 2009, Physical review letters.

Exciton/Charge-Transfer Electronic Couplings in Organic Semiconductors.

Troy Van Voorhis, T. Van Voorhis, Seth Difley, 2011, Journal of chemical theory and computation.