Non-adiabatic dynamics of molecules in optical cavities

Kowalewski, Markus; Bennett, Kochise; Mukamel, Shaul

doi:10.1063/1.4941053

Title: Non-adiabatic dynamics of molecules in optical cavities

Abstract

Strong coupling of molecules to the vacuum field of micro cavities can modify the potential energy surfaces thereby opening new photophysical and photochemical reaction pathways. While the influence of laser fields is usually described in terms of classical field, coupling to the vacuum state of a cavity has to be described in terms of dressed photon-matter states (polaritons) which require quantized fields. We present a derivation of the non-adiabatic couplings for single molecules in the strong coupling regime suitable for the calculation of the dressed state dynamics. The formalism allows to use quantities readily accessible from quantum chemistry codes like the adiabatic potential energy surfaces and dipole moments to carry out wave packet simulations in the dressed basis. In conclusion, the implications for photochemistry are demonstrated for a set of model systems representing typical situations found in molecules.

Authors:

^[1]; Bennett, Kochise ^[1]; Mukamel, Shaul ^[1]

Univ. of California, Irvine, CA (United States)

Publication Date:: Fri Feb 05 00:00:00 EST 2016

Research Org.:: Univ. of California, Irvine, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences, and Biosciences Division

OSTI Identifier:: 1469202

Alternate Identifier(s):: OSTI ID: 1236993

Grant/Contract Number:: FG02-04ER15571

Resource Type:: Accepted Manuscript

Journal Name:: Journal of Chemical Physics

Additional Journal Information:: Journal Volume: 144; Journal Issue: 5; Journal ID: ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)

Country of Publication:: United States

Language:: English

Subject:: 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats


                    Kowalewski, Markus, Bennett, Kochise, and Mukamel, Shaul. Non-adiabatic dynamics of molecules in optical cavities.  United States: N. p., 2016. 
Web.  doi:10.1063/1.4941053.

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                    Kowalewski, Markus, Bennett, Kochise, & Mukamel, Shaul. Non-adiabatic dynamics of molecules in optical cavities.  United States.  https://doi.org/10.1063/1.4941053

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                    Kowalewski, Markus, Bennett, Kochise, and Mukamel, Shaul. Fri .  
"Non-adiabatic dynamics of molecules in optical cavities".  United States.  https://doi.org/10.1063/1.4941053.  https://www.osti.gov/servlets/purl/1469202.

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@article{osti_1469202,

  title        = {Non-adiabatic dynamics of molecules in optical cavities},

  author       = {Kowalewski, Markus and Bennett, Kochise and Mukamel, Shaul},

  abstractNote = {Strong coupling of molecules to the vacuum field of micro cavities can modify the potential energy surfaces thereby opening new photophysical and photochemical reaction pathways. While the influence of laser fields is usually described in terms of classical field, coupling to the vacuum state of a cavity has to be described in terms of dressed photon-matter states (polaritons) which require quantized fields. We present a derivation of the non-adiabatic couplings for single molecules in the strong coupling regime suitable for the calculation of the dressed state dynamics. The formalism allows to use quantities readily accessible from quantum chemistry codes like the adiabatic potential energy surfaces and dipole moments to carry out wave packet simulations in the dressed basis. In conclusion, the implications for photochemistry are demonstrated for a set of model systems representing typical situations found in molecules.},

  doi          = {10.1063/1.4941053},

  journal      = {Journal of Chemical Physics},

  number       = 5,

  volume       = 144,

  place        = {United States},

  year         = {Fri Feb 05 00:00:00 EST 2016},

  month        = {Fri Feb 05 00:00:00 EST 2016}

}

Copy to clipboard

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Works referenced in this record:

Coherence in Spontaneous Radiation Processes
journal, January 1954

Dicke, R. H.
Physical Review, Vol. 93, Issue 1
DOI: 10.1103/PhysRev.93.99

Molecular Collision Dynamics on Several Electronic States
journal, September 1997

Martínez, T. J.; Ben-Nun, M.; Levine, R. D.
The Journal of Physical Chemistry A, Vol. 101, Issue 36
DOI: 10.1021/jp970842t

Searching for pathways involving dressed states in optimal control theory
journal, January 2011

von den Hoff, Philipp; Kowalewski, Markus; de Vivie-Riedle, Regina
Faraday Discussions, Vol. 153
DOI: 10.1039/c1fd00031d

Ab Initio Multiple Spawning: Photochemistry from First Principles Quantum Molecular Dynamics
journal, June 2000

Ben-Nun, M.; Quenneville, Jason; Martínez, Todd J.
The Journal of Physical Chemistry A, Vol. 104, Issue 22
DOI: 10.1021/jp994174i

Conical Intersections: Theory, Computation and Experiment
book, November 2011

Domcke, Wolfgang; Yarkony, David R.; Köppel, Horst
Advanced Series in Physical Chemistry
DOI: 10.1142/7803

Proton transfer in solution: Molecular dynamics with quantum transitions
journal, September 1994

Hammes‐Schiffer, Sharon; Tully, John C.
The Journal of Chemical Physics, Vol. 101, Issue 6
DOI: 10.1063/1.467455

Adiabatic approach for ultrafast quantum dynamics mediated by simultaneously active conical intersections
journal, October 2001

Hofmann, Angelika; de Vivie-Riedle, Regina
Chemical Physics Letters, Vol. 346, Issue 3-4
DOI: 10.1016/S0009-2614(01)00922-8

A perfectly matched layer applied to a reactive scattering problem
journal, August 2010

Nissen, Anna; Karlsson, Hans O.; Kreiss, Gunilla
The Journal of Chemical Physics, Vol. 133, Issue 5
DOI: 10.1063/1.3458888

Dynamic Stark Control of Photochemical Processes
journal, October 2006

Sussman, B. J.; Townsend, D.; Ivanov, M. Yu.
Science, Vol. 314, Issue 5797
DOI: 10.1126/science.1132289

Control of 1,3-Cyclohexadiene Photoisomerization Using Light-Induced Conical Intersections
journal, December 2011

Kim, Jaehee; Tao, Hongli; White, James L.
The Journal of Physical Chemistry A, Vol. 116, Issue 11
DOI: 10.1021/jp208384b

Exploring the Quantum
book, January 2006

Haroche, Serge; Raimond, Jean-Michel
DOI: 10.1093/acprof:oso/9780198509141.001.0001

Chemoselective quantum control of carbonyl bonds in Grignard reactions using shaped laser pulses
journal, January 2010

Gollub, Caroline; Kowalewski, Markus; Thallmair, Sebastian
Physical Chemistry Chemical Physics, Vol. 12, Issue 48
DOI: 10.1039/c0cp01657h

Comparison of quantum and semiclassical radiation theories with application to the beam maser
journal, January 1963

Jaynes, E. T.; Cummings, F. W.
Proceedings of the IEEE, Vol. 51, Issue 1
DOI: 10.1109/PROC.1963.1664

Modifying Chemical Landscapes by Coupling to Vacuum Fields
journal, January 2012

Hutchison, James A.; Schwartz, Tal; Genet, Cyriaque
Angewandte Chemie International Edition, Vol. 51, Issue 7
DOI: 10.1002/anie.201107033

Detecting electronic coherence by multidimensional broadband stimulated x-ray Raman signals
journal, August 2015

Dorfman, Konstantin E.; Bennett, Kochise; Mukamel, Shaul
Physical Review A, Vol. 92, Issue 2
DOI: 10.1103/physreva.92.023826

Proceedings of the American Physical Society
journal, June 1946

Anonymous,
Physical Review, Vol. 69, Issue 11-12
DOI: 10.1103/PhysRev.69.674

Theory of the Contribution of Excitons to the Complex Dielectric Constant of Crystals
journal, December 1958

Hopfield, J. J.
Physical Review, Vol. 112, Issue 5
DOI: 10.1103/PhysRev.112.1555

Ab initio multiple spawning on laser-dressed states: a study of 1,3-cyclohexadiene photoisomerization via light-induced conical intersections
journal, July 2015

Kim, Jaehee; Tao, Hongli; Martinez, Todd J.
Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 48, Issue 16
DOI: 10.1088/0953-4075/48/16/164003

Light-induced conical intersections in polyatomic molecules: General theory, strategies of exploitation, and application
journal, October 2013

Demekhin, Philipp V.; Cederbaum, Lorenz S.
The Journal of Chemical Physics, Vol. 139, Issue 15
DOI: 10.1063/1.4826172

Squeezing Photons into a Point-Like Space
journal, May 2015

Kim, Myung-Ki; Sim, Hongchul; Yoon, Seung Ju
Nano Letters, Vol. 15, Issue 6
DOI: 10.1021/acs.nanolett.5b01204

Modifying Chemical Landscapes by Coupling to Vacuum Fields
journal, January 2012

Hutchison, James A.; Schwartz, Tal; Genet, Cyriaque
Angewandte Chemie, Vol. 124, Issue 7
DOI: 10.1002/ange.201107033

Proceedings of the American Physical Society
journal, August 1951

Anonymous,
Physical Review, Vol. 83, Issue 4, p. 868-882
DOI: 10.1103/physrev.83.868

Proceedings of the American Physical Society
journal, September 1915

Cole, A. D.
Science, Vol. 42, Issue 1081
DOI: 10.1126/science.42.1081.390

Proceedings of the American Physical Society
journal, May 1951

Anonymous,
Physical Review, Vol. 82, Issue 4, p. 577-577
DOI: 10.1103/physrev.82.577

Control of 1,3-Cyclohexadiene Photoisomerization Using Light-Induced Conical Intersections
text, January 2011

Kim, Jaehee; Tao, Hongli; White, James L.
arXiv
DOI: 10.48550/arxiv.1109.5756

Detecting Electronic Coherence by Multidimensional Broadband Stimulated X-Ray Raman Signals
text, January 2015

Dorfman, Konstantin E.; Bennett, Kochise; Mukamel, Shaul
arXiv
DOI: 10.48550/arxiv.1506.08226

Cavity cooling of internal molecular motion
text, January 2007

Morigi, Giovanna; Pinkse, Pepijn W. H.; Kowalewski, Markus
arXiv
DOI: 10.48550/arxiv.quant-ph/0703157

Works referencing / citing this record:

Suppressing photochemical reactions with quantized light fields
journal, December 2016

Galego, Javier; Garcia-Vidal, Francisco J.; Feist, Johannes
Nature Communications, Vol. 7, Issue 1
DOI: 10.1038/ncomms13841

Manipulating azobenzene photoisomerization through strong light–molecule coupling
journal, November 2018

Fregoni, J.; Granucci, G.; Coccia, E.
Nature Communications, Vol. 9, Issue 1
DOI: 10.1038/s41467-018-06971-y

Monitoring polariton dynamics in the LHCII photosynthetic antenna in a microcavity by two-photon coincidence counting
journal, February 2018

Zhang, Zhedong; Saurabh, Prasoon; Dorfman, Konstantin E.
The Journal of Chemical Physics, Vol. 148, Issue 7
DOI: 10.1063/1.5004432

Nonadiabatic transition probabilities in a time-dependent Gaussian pulse or plateau pulse: Toward experimental tests of the differences from Dirac’s transition probabilities
journal, November 2018

Mandal, Anirban; Hunt, Katharine L. C.
The Journal of Chemical Physics, Vol. 149, Issue 20
DOI: 10.1063/1.5054313

Electron transfer in confined electromagnetic fields
journal, May 2019

Semenov, Alexander; Nitzan, Abraham
The Journal of Chemical Physics, Vol. 150, Issue 17
DOI: 10.1063/1.5095940

Singlet fission of amorphous rubrene modulated by polariton formation
journal, August 2019

Takahashi, Shota; Watanabe, Kazuya; Matsumoto, Yoshiyasu
The Journal of Chemical Physics, Vol. 151, Issue 7
DOI: 10.1063/1.5108698

Non-adiabatic molecular dynamics of molecules in the presence of strong light-matter interactions
journal, October 2019

Zhang, Yu; Nelson, Tammie; Tretiak, Sergei
The Journal of Chemical Physics, Vol. 151, Issue 15
DOI: 10.1063/1.5116550

Atoms and molecules in cavities, from weak to strong coupling in quantum-electrodynamics (QED) chemistry
journal, March 2017

Flick, Johannes; Ruggenthaler, Michael; Appel, Heiko
Proceedings of the National Academy of Sciences, Vol. 114, Issue 12
DOI: 10.1073/pnas.1615509114

Polariton chemistry: Thinking inside the (photon) box
journal, March 2019

Yuen-Zhou, Joel; Menon, Vinod M.
Proceedings of the National Academy of Sciences, Vol. 116, Issue 12
DOI: 10.1073/pnas.1900795116

Ultrafast dynamics in the vicinity of quantum light-induced conical intersections
journal, September 2019

Csehi, András; Kowalewski, Markus; Halász, Gábor J.
New Journal of Physics, Vol. 21, Issue 9
DOI: 10.1088/1367-2630/ab3fcc

A strong enhancement in electronic current due to conical-intersection
journal, September 2019

Karmakar, Anirban; Gangopadhyay, Gautam
Physica Scripta, Vol. 94, Issue 12
DOI: 10.1088/1402-4896/ab35ee

Pulse engineering for population control under dephasing and dissipation
journal, July 2019

Medina, I.; Semião, F. L.
Physical Review A, Vol. 100, Issue 1
DOI: 10.1103/physreva.100.012103

Cavity-Mediated Electron-Photon Superconductivity
journal, April 2019

Schlawin, Frank; Cavalleri, Andrea; Jaksch, Dieter
Physical Review Letters, Vol. 122, Issue 13
DOI: 10.1103/physrevlett.122.133602

Precise determination of excitation energies in condensed-phase molecular systems based on exciton-polariton measurements
journal, October 2019

Phuc, Nguyen Thanh; Ishizaki, Akihito
Physical Review Research, Vol. 1, Issue 3
DOI: 10.1103/physrevresearch.1.033019

Cavity Casimir-Polder Forces and Their Effects in Ground-State Chemical Reactivity
journal, June 2019

Galego, Javier; Climent, Clàudia; Garcia-Vidal, Francisco J.
Physical Review X, Vol. 9, Issue 2
DOI: 10.1103/physrevx.9.021057

Interplay of electron-phonon nonadiabaticity and Raman scattering in the wavepacket dynamics of electron-phonon-photon systems
journal, June 2019

Ishida, Kunio
The European Physical Journal D, Vol. 73, Issue 6
DOI: 10.1140/epjd/e2019-90485-5

Strong light-matter coupling in quantum chemistry and quantum photonics
journal, September 2018

Flick, Johannes; Rivera, Nicholas; Narang, Prineha
Nanophotonics, Vol. 7, Issue 9
DOI: 10.1515/nanoph-2018-0067

Suppressing photochemical reactions with quantized light fields
text, January 2016

Galego, Javier; Garcia-Vidal, Francisco J.; Feist, Johannes
arXiv
DOI: 10.48550/arxiv.1606.04684

Photonics and Spectroscopy in Nanojunctions: A Theoretical Insight
text, January 2018

Galperin, Michael
arXiv
DOI: 10.48550/arxiv.1803.08642

Cavity-mediated electron-photon superconductivity
text, January 2018

Schlawin, Frank; Cavalleri, Andrea; Jaksch, Dieter
arXiv
DOI: 10.48550/arxiv.1804.07142

Cavity Casimir-Polder forces and their effects in ground state chemical reactivity
text, January 2018

Galego, Javier; Climent, Clàudia; Garcia-Vidal, Francisco J.
arXiv
DOI: 10.48550/arxiv.1807.10846

Pulse engineering for population control under dephasing and dissipation
text, January 2018

Medina, I.; Semião, F. L.
arXiv
DOI: 10.48550/arxiv.1808.07544

Non-Adiabatic Molecular Dynamics of Molecules in the Presence of Strong Light-Matter Interactions
text, January 2019

Zhang, Yu; Nelson, Tammie; Tretiak, Sergei
arXiv
DOI: 10.48550/arxiv.1906.11210

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text, January 2016

Galego, Javier; Garcia-Vidal, Francisco J.; Feist, Johannes
arXiv
DOI: 10.48550/arxiv.1606.04684

Polariton Chemistry: controlling molecular dynamics with optical cavities
preprint, January 2018

Ribeiro, Raphael F.; Martínez-Martínez, Luis A.; Du, Matthew
arXiv
DOI: 10.48550/arxiv.1802.08681

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text, January 2018

Fregoni, Jacopo; Granucci, Giovanni; Coccia, Emanuele
arXiv
DOI: 10.48550/arxiv.1811.07648

Reduced Density-Matrix Approach to Strong Matter-Photon Interaction
text, January 2018

Buchholz, Florian; Theophilou, Iris; Nielsen, Soeren Ersbak Bang
arXiv
DOI: 10.48550/arxiv.1812.05562

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Title: Non-adiabatic dynamics of molecules in optical cavities

Abstract

Citation Formats

Coherence in Spontaneous Radiation Processes journal, January 1954

Molecular Collision Dynamics on Several Electronic States journal, September 1997

Searching for pathways involving dressed states in optimal control theory journal, January 2011

Ab Initio Multiple Spawning: Photochemistry from First Principles Quantum Molecular Dynamics journal, June 2000

Conical Intersections: Theory, Computation and Experiment book, November 2011

Proton transfer in solution: Molecular dynamics with quantum transitions journal, September 1994

Adiabatic approach for ultrafast quantum dynamics mediated by simultaneously active conical intersections journal, October 2001

A perfectly matched layer applied to a reactive scattering problem journal, August 2010

Dynamic Stark Control of Photochemical Processes journal, October 2006

Control of 1,3-Cyclohexadiene Photoisomerization Using Light-Induced Conical Intersections journal, December 2011

Exploring the Quantum book, January 2006

Chemoselective quantum control of carbonyl bonds in Grignard reactions using shaped laser pulses journal, January 2010

Comparison of quantum and semiclassical radiation theories with application to the beam maser journal, January 1963

Modifying Chemical Landscapes by Coupling to Vacuum Fields journal, January 2012

Detecting electronic coherence by multidimensional broadband stimulated x-ray Raman signals journal, August 2015

Proceedings of the American Physical Society journal, June 1946

Theory of the Contribution of Excitons to the Complex Dielectric Constant of Crystals journal, December 1958

Ab initio multiple spawning on laser-dressed states: a study of 1,3-cyclohexadiene photoisomerization via light-induced conical intersections journal, July 2015

Light-induced conical intersections in polyatomic molecules: General theory, strategies of exploitation, and application journal, October 2013

Squeezing Photons into a Point-Like Space journal, May 2015

Modifying Chemical Landscapes by Coupling to Vacuum Fields journal, January 2012

Proceedings of the American Physical Society journal, August 1951

Proceedings of the American Physical Society journal, September 1915

Proceedings of the American Physical Society journal, May 1951

Control of 1,3-Cyclohexadiene Photoisomerization Using Light-Induced Conical Intersections text, January 2011

Detecting Electronic Coherence by Multidimensional Broadband Stimulated X-Ray Raman Signals text, January 2015

Cavity cooling of internal molecular motion text, January 2007

Suppressing photochemical reactions with quantized light fields journal, December 2016

Manipulating azobenzene photoisomerization through strong light–molecule coupling journal, November 2018

Monitoring polariton dynamics in the LHCII photosynthetic antenna in a microcavity by two-photon coincidence counting journal, February 2018

Nonadiabatic transition probabilities in a time-dependent Gaussian pulse or plateau pulse: Toward experimental tests of the differences from Dirac’s transition probabilities journal, November 2018

Electron transfer in confined electromagnetic fields journal, May 2019

Singlet fission of amorphous rubrene modulated by polariton formation journal, August 2019

Non-adiabatic molecular dynamics of molecules in the presence of strong light-matter interactions journal, October 2019

Atoms and molecules in cavities, from weak to strong coupling in quantum-electrodynamics (QED) chemistry journal, March 2017

Polariton chemistry: Thinking inside the (photon) box journal, March 2019

Ultrafast dynamics in the vicinity of quantum light-induced conical intersections journal, September 2019

A strong enhancement in electronic current due to conical-intersection journal, September 2019

Pulse engineering for population control under dephasing and dissipation journal, July 2019

Cavity-Mediated Electron-Photon Superconductivity journal, April 2019

Precise determination of excitation energies in condensed-phase molecular systems based on exciton-polariton measurements journal, October 2019

Cavity Casimir-Polder Forces and Their Effects in Ground-State Chemical Reactivity journal, June 2019

Interplay of electron-phonon nonadiabaticity and Raman scattering in the wavepacket dynamics of electron-phonon-photon systems journal, June 2019

Strong light-matter coupling in quantum chemistry and quantum photonics journal, September 2018

Suppressing photochemical reactions with quantized light fields text, January 2016

Photonics and Spectroscopy in Nanojunctions: A Theoretical Insight text, January 2018

Cavity-mediated electron-photon superconductivity text, January 2018

Cavity Casimir-Polder forces and their effects in ground state chemical reactivity text, January 2018

Pulse engineering for population control under dephasing and dissipation text, January 2018

Non-Adiabatic Molecular Dynamics of Molecules in the Presence of Strong Light-Matter Interactions text, January 2019

Suppressing photochemical reactions with quantized light fields text, January 2016

Polariton Chemistry: controlling molecular dynamics with optical cavities preprint, January 2018

Manipulating azobenzene photoisomerization through strong light-molecule coupling text, January 2018

Reduced Density-Matrix Approach to Strong Matter-Photon Interaction text, January 2018

Coherence in Spontaneous Radiation Processes
journal, January 1954

Molecular Collision Dynamics on Several Electronic States
journal, September 1997

Searching for pathways involving dressed states in optimal control theory
journal, January 2011

Ab Initio Multiple Spawning: Photochemistry from First Principles Quantum Molecular Dynamics
journal, June 2000

Conical Intersections: Theory, Computation and Experiment
book, November 2011

Proton transfer in solution: Molecular dynamics with quantum transitions
journal, September 1994

Adiabatic approach for ultrafast quantum dynamics mediated by simultaneously active conical intersections
journal, October 2001

A perfectly matched layer applied to a reactive scattering problem
journal, August 2010

Dynamic Stark Control of Photochemical Processes
journal, October 2006

Control of 1,3-Cyclohexadiene Photoisomerization Using Light-Induced Conical Intersections
journal, December 2011

Exploring the Quantum
book, January 2006

Chemoselective quantum control of carbonyl bonds in Grignard reactions using shaped laser pulses
journal, January 2010

Comparison of quantum and semiclassical radiation theories with application to the beam maser
journal, January 1963

Modifying Chemical Landscapes by Coupling to Vacuum Fields
journal, January 2012

Detecting electronic coherence by multidimensional broadband stimulated x-ray Raman signals
journal, August 2015

Proceedings of the American Physical Society
journal, June 1946

Theory of the Contribution of Excitons to the Complex Dielectric Constant of Crystals
journal, December 1958

Ab initio multiple spawning on laser-dressed states: a study of 1,3-cyclohexadiene photoisomerization via light-induced conical intersections
journal, July 2015

Light-induced conical intersections in polyatomic molecules: General theory, strategies of exploitation, and application
journal, October 2013

Squeezing Photons into a Point-Like Space
journal, May 2015

Modifying Chemical Landscapes by Coupling to Vacuum Fields
journal, January 2012

Proceedings of the American Physical Society
journal, August 1951

Proceedings of the American Physical Society
journal, September 1915

Proceedings of the American Physical Society
journal, May 1951

Control of 1,3-Cyclohexadiene Photoisomerization Using Light-Induced Conical Intersections
text, January 2011

Detecting Electronic Coherence by Multidimensional Broadband Stimulated X-Ray Raman Signals
text, January 2015

Cavity cooling of internal molecular motion
text, January 2007

Suppressing photochemical reactions with quantized light fields
journal, December 2016

Manipulating azobenzene photoisomerization through strong light–molecule coupling
journal, November 2018

Monitoring polariton dynamics in the LHCII photosynthetic antenna in a microcavity by two-photon coincidence counting
journal, February 2018

Nonadiabatic transition probabilities in a time-dependent Gaussian pulse or plateau pulse: Toward experimental tests of the differences from Dirac’s transition probabilities
journal, November 2018

Electron transfer in confined electromagnetic fields
journal, May 2019

Singlet fission of amorphous rubrene modulated by polariton formation
journal, August 2019

Non-adiabatic molecular dynamics of molecules in the presence of strong light-matter interactions
journal, October 2019

Atoms and molecules in cavities, from weak to strong coupling in quantum-electrodynamics (QED) chemistry
journal, March 2017

Polariton chemistry: Thinking inside the (photon) box
journal, March 2019

Ultrafast dynamics in the vicinity of quantum light-induced conical intersections
journal, September 2019

A strong enhancement in electronic current due to conical-intersection
journal, September 2019

Pulse engineering for population control under dephasing and dissipation
journal, July 2019

Cavity-Mediated Electron-Photon Superconductivity
journal, April 2019

Precise determination of excitation energies in condensed-phase molecular systems based on exciton-polariton measurements
journal, October 2019

Cavity Casimir-Polder Forces and Their Effects in Ground-State Chemical Reactivity
journal, June 2019

Interplay of electron-phonon nonadiabaticity and Raman scattering in the wavepacket dynamics of electron-phonon-photon systems
journal, June 2019

Strong light-matter coupling in quantum chemistry and quantum photonics
journal, September 2018

Suppressing photochemical reactions with quantized light fields
text, January 2016

Photonics and Spectroscopy in Nanojunctions: A Theoretical Insight
text, January 2018

Cavity-mediated electron-photon superconductivity
text, January 2018

Cavity Casimir-Polder forces and their effects in ground state chemical reactivity
text, January 2018

Pulse engineering for population control under dephasing and dissipation
text, January 2018

Non-Adiabatic Molecular Dynamics of Molecules in the Presence of Strong Light-Matter Interactions
text, January 2019

Suppressing photochemical reactions with quantized light fields
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Polariton Chemistry: controlling molecular dynamics with optical cavities
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