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6 results in Authors: Yuanheng Wang

Chemical Education

Working Paper

InteraChem: Virtual Reality Visualizer for Reactive Interactive Molecular Dynamics

Stefan Seritan, Yuanheng Wang, Jason E. Ford, alessio Valentini, Tom Gold, Todd J. Martínez

Version 1 posted 10 May 2021

425

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Theoretical and Computational Chemistry

Working Paper

TeraChem Protocol Buffers (TCPB): Accelerating QM and QM/MM Simulations with a Client-Server Model

Vinícius Wilian Cruzeiro, Yuanheng Wang, Elisa Pieri, Edward Hohenstein, Todd Martínez

Version 1 posted 18 October 2022

522

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Theoretical and Computational Chemistry

Working Paper

Evaluating the Anharmonicity Contributions to the Molecular Excited State Internal Conversion Rates with Finite Temperature TD-DMRG

Yuanheng Wang, Jiajun Ren, Zhigang Shuai

Version 2 posted 28 May 2021

444

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Physical Chemistry

Working Paper

Minimizing non-radiative decay in molecular aggregates through optimal control of excitonic coupling

Yuanheng Wang, Jiajun Ren, Zhigang Shuai

Version 1 posted 28 December 2022

219

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Theoretical and Computational Chemistry

Working Paper

TD-DMRG coupled with n-mode representation potentials for the excited state radiationless decay rate: formalism and application to azulene

Jiajun Ren, Yuanheng Wang, Weitang Li, Tong Jiang, Zhigang Shuai

Version 1 posted 17 August 2021

357

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Nanoscience

Working Paper

Internal Atomic-Scale Structure Determination and Band Alignment of II-VI Quantum Dot Heterostructures

Cecilia Gentle, Yuanheng Wang, Tyler N. Haddock, Conner P. Dykstra, Renske M. van der Veen

Version 1 posted 18 December 2019

584

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6 results in Yuanheng Wang in Authors: Yuanheng Wang

InteraChem: Virtual Reality Visualizer for Reactive Interactive Molecular Dynamics

TeraChem Protocol Buffers (TCPB): Accelerating QM and QM/MM Simulations with a Client-Server Model

Evaluating the Anharmonicity Contributions to the Molecular Excited State Internal Conversion Rates with Finite Temperature TD-DMRG

Minimizing non-radiative decay in molecular aggregates through optimal control of excitonic coupling

TD-DMRG coupled with n-mode representation potentials for the excited state radiationless decay rate: formalism and application to azulene

Internal Atomic-Scale Structure Determination and Band Alignment of II-VI Quantum Dot Heterostructures

6 results in Authors: Yuanheng Wang