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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

717

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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

786

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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

392

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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

306

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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

313

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Physical Chemistry

Working Paper

Dynamics and Spectroscopy of Molecular Ensembles in a Lossy Microcavity

Inga Ulusoy, Oriol Vendrell

Version 2 posted 03 July 2020

492

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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

138

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Physical Chemistry

Working Paper

Simulating fluorine K-edge resonant inelastic X-ray scattering of sulfur hexafluoride and the effect of dissociative dynamics

Ambar Banerjee, Vinícius Vaz da Cruz, Victor Ekholm, Conny Såthe, Jan-Erik Rubensson, Nina Ignatova, Faris Gel’mukhanov, Michael Odelius

Version 1 posted 21 April 2023

194

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Theoretical and Computational Chemistry

Working Paper

Ultrafast spin crossover photochemical mechanism in [Fe(2,2'−bipyridine)3]2+ revealed by quantum dynamics

Marc Alias-Rodriguez, Swarnendu Bhattacharyya, Miquel Huix-Rotllant

Version 2 posted 10 March 2023

246

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1

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Theoretical and Computational Chemistry

Working Paper

Nonadiabatic quantum dynamics of the coherent excited state intramolecular proton transfer of 10-hydroxybenzo[h]quinoline

David Picconi

Version 1 posted 03 September 2021

246

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20 results in Quantum dynamics in Keywords: Quantum dynamics

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

Polariton Mediated Electron Transfer via Cavity Quantum Electrodynamics

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

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

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

Dynamics and Spectroscopy of Molecular Ensembles in a Lossy Microcavity

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

Simulating fluorine K-edge resonant inelastic X-ray scattering of sulfur hexafluoride and the effect of dissociative dynamics

Ultrafast spin crossover photochemical mechanism in [Fe(2,2'−bipyridine)3]2+ revealed by quantum dynamics

Nonadiabatic quantum dynamics of the coherent excited state intramolecular proton transfer of 10-hydroxybenzo[h]quinoline

20 results in Keywords: Quantum dynamics