Search

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

Downloads

Theoretical and Computational Chemistry

Working Paper

Polariton Mediated Electron Transfer via Cavity Quantum Electrodynamics

Arkajit Mandal, Todd D. Krauss, Pengfei Huo

Version 1 posted 16 March 2020

810

Downloads

Physical Chemistry

Working Paper

QD3SET-1: A Database with Quantum Dissipative Dynamics Data Sets

Arif Ullah, Luis E. Herrera Rodr ́iguez, Pavlo O. Dral, Alexei A. Kananenka

Version 1 posted 20 January 2023

172

Downloads

Physical Chemistry

Working Paper

Molecular Polaritons Generated from Strong Coupling between CdSe Nanoplatelets and a Dielectric Optical Cavity

Liangyu Qiu, Arkajit Mandal, Ovishek Morshed, Mahilet T. Meidenbauer, William Girten, Pengfei Huo, A. Nickolas Vamivakas, Todd D. Krauss

Version 2 posted 12 April 2021

729

Downloads

Physical Chemistry

Working Paper

Multiphoton Excitation of Organic Molecules in a Cavity – Superradiance as a Measure of Coherence

Inga Ulusoy, Johana A. Gomez, Oriol Vendrell

Version 1 posted 23 October 2020

339

Downloads

Physical Chemistry

Working Paper

A Fragment Diabatization Linear Vibronic Coupling Model for Quantum Dynamics of Multichromophoric Systems: Population of the Charge Transfer State in the Photoexcited Guanine Cytosine Pair

James Green, Martha Yaghoubi Jouybari, Haritha Asha, Fabrizio Santoro, Roberto Improta

Version 1 posted 28 April 2021

350

Downloads

Physical Chemistry

Working Paper

Dynamics and Spectroscopy of Molecular Ensembles in a Lossy Microcavity

Inga Ulusoy, Oriol Vendrell

Version 2 posted 03 July 2020

533

Downloads

Theoretical and Computational Chemistry

Working Paper

Unconventional Nonlinear Hall Effects in Twisted Multilayer 2D Materials

Mahmut Okyay, Min Choi, Qiang Xu, Adrian Dieguez, Mauro Del Ben, Khaled Ibrahim, Bryan Wong

Version 1 posted 11 December 2024

81

Downloads

Physical Chemistry

Working Paper

Quasi Diabatic Propagation Scheme for Direct Simulation of Proton-Coupled Electron Transfer Reaction

Farnaz A. Shakib, Pengfei Huo

Version 1 posted 04 January 2019

710

Downloads

Physical Chemistry

Working Paper

Field Programmable Gate Arrays (FPGAs) for Enhancing the Speed and Energy Efficiency of Quantum Dynamics Simulations

Jose Rodriguez-Borbon, Amin Kalantar, Sharma Yamijala, M. Belen Oviedo, Wallid Najar, Bryan Wong

Version 1 posted 13 March 2020

854

Downloads

Refine Search

24 results in Quantum dynamics in Keywords: Quantum dynamics

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

Polariton Mediated Electron Transfer via Cavity Quantum Electrodynamics

QD3SET-1: A Database with Quantum Dissipative Dynamics Data Sets

Molecular Polaritons Generated from Strong Coupling between CdSe Nanoplatelets and a Dielectric Optical Cavity

Multiphoton Excitation of Organic Molecules in a Cavity – Superradiance as a Measure of Coherence

A Fragment Diabatization Linear Vibronic Coupling Model for Quantum Dynamics of Multichromophoric Systems: Population of the Charge Transfer State in the Photoexcited Guanine Cytosine Pair

Dynamics and Spectroscopy of Molecular Ensembles in a Lossy Microcavity

Unconventional Nonlinear Hall Effects in Twisted Multilayer 2D Materials

Quasi Diabatic Propagation Scheme for Direct Simulation of Proton-Coupled Electron Transfer Reaction

Field Programmable Gate Arrays (FPGAs) for Enhancing the Speed and Energy Efficiency of Quantum Dynamics Simulations

24 results in Keywords: Quantum dynamics