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Scopus Author ID: 57201268090
Loop profile: 1895869

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Employment (2)

University of Delaware: Newark, Delaware, US

2024-01-01 to present | Assistant Professor (Department of Physics and Astronomy)
Employment
Source: Self-asserted source
Tao E. Li

Yale University: New Haven, CT, US

2021-08-23 to 2023-12-31 | Postdoctoral Researcher (Chemistry)
Employment
Source: Self-asserted source
Tao E. Li

Education and qualifications (2)

University of Pennsylvania: Philadelphia, PA, US

2016-06-30 to 2021-07-31 | Ph.D. (Chemistry)
Education
Source: Self-asserted source
Tao E. Li

Nanjing University: Nanjing, Jiangsu, CN

2012-09-01 to 2016-06-22 | B.S. (Kuang Yaming's Honors School)
Education
Source: Self-asserted source
Tao E. Li

Works (29)

Lagrangian formulation of nuclear–electronic orbital Ehrenfest dynamics with real-time TDDFT for extended periodic systems

The Journal of Chemical Physics
2024-11-21 | Journal article
DOI: 10.1063/5.0230570
Contributors: Jianhang Xu; Ruiyi Zhou; Tao E. Li; Sharon Hammes-Schiffer; Yosuke Kanai
Source: check_circle
Crossref

i-PI 3.0: A flexible and efficient framework for advanced atomistic simulations

The Journal of Chemical Physics
2024-08-14 | Journal article
DOI: 10.1063/5.0215869
Contributors: Yair Litman; Venkat Kapil; Yotam M. Y. Feldman; Davide Tisi; Tomislav Begušić; Karen Fidanyan; Guillaume Fraux; Jacob Higer; Matthias Kellner; Tao E. Li et al.
Source: check_circle
Crossref

Vibrational polaritons with broken in-plane translational symmetry

The Journal of Chemical Physics
2024-08-14 | Journal article
DOI: 10.1063/5.0209212
Contributors: Tao E. Li
Source: check_circle
Crossref

Mesoscale Molecular Simulations of Fabry–Pérot Vibrational Strong Coupling

Journal of Chemical Theory and Computation
2024-06-24 | Journal article
DOI: 10.1021/acs.jctc.4c00349
Contributors: Tao E. Li
Source: check_circle
Crossref

Squeezed Protons and Infrared Plasmonic Resonance Energy Transfer

The Journal of Physical Chemistry Letters
2024-01-25 | Journal article
DOI: 10.1021/acs.jpclett.3c03112
Contributors: Tao E. Li; Eno Paenurk; Sharon Hammes-Schiffer
Source: check_circle
Crossref

First-Principles Approach for Coupled Quantum Dynamics of Electrons and Protons in Heterogeneous Systems

Physical Review Letters
2023-12-07 | Journal article
DOI: 10.1103/PhysRevLett.131.238002
Contributors: Jianhang Xu; Ruiyi Zhou; Volker Blum; Tao E. Li; Sharon Hammes-Schiffer; Yosuke Kanai
Source: check_circle
Crossref

Nuclear–Electronic Orbital Quantum Mechanical/Molecular Mechanical Real-Time Dynamics

The Journal of Physical Chemistry Letters
2023-11-02 | Journal article
DOI: 10.1021/acs.jpclett.3c02275
Contributors: Mathew Chow; Tao E. Li; Sharon Hammes-Schiffer
Source: check_circle
Crossref

Nuclear-Electronic Orbital Quantum Dynamics of Plasmon-Driven H2 Photodissociation

Journal of the American Chemical Society
2023-08-23 | Journal article
DOI: 10.1021/jacs.3c04927
Contributors: Tao E. Li; Sharon Hammes-Schiffer
Source: check_circle
Crossref

Electronic Born–Oppenheimer approximation in nuclear-electronic orbital dynamics

The Journal of Chemical Physics
2023-03-21 | Journal article
DOI: 10.1063/5.0142007
Contributors: Tao E. Li; Sharon Hammes-Schiffer
Source: check_circle
Crossref

QM/MM Modeling of Vibrational Polariton Induced Energy Transfer and Chemical Dynamics

Journal of the American Chemical Society
2023-01-11 | Journal article
DOI: 10.1021/jacs.2c10170
Contributors: Tao E. Li; Sharon Hammes-Schiffer
Source: check_circle
Crossref

Energy-efficient pathway for selectively exciting solute molecules to high vibrational states via solvent vibration-polariton pumping

Nature Communications
2022-07-20 | Journal article
DOI: 10.1038/s41467-022-31703-8
Contributors: Tao E. Li; Abraham Nitzan; Joseph E. Subotnik
Source: check_circle
Crossref

Semiclassical Real-Time Nuclear-Electronic Orbital Dynamics for Molecular Polaritons: Unified Theory of Electronic and Vibrational Strong Couplings

Journal of Chemical Theory and Computation
2022-05-10 | Journal article
DOI: 10.1021/acs.jctc.2c00096
Contributors: Tao E. Li; Zhen Tao; Sharon Hammes-Schiffer
Source: check_circle
Crossref

Quantum Simulations of Vibrational Strong Coupling via Path Integrals

The Journal of Physical Chemistry Letters
2022-05-05 | Journal article
DOI: 10.1021/acs.jpclett.2c00613
Contributors: Tao E. Li; Abraham Nitzan; Sharon Hammes-Schiffer; Joseph E. Subotnik
Source: check_circle
Crossref

Molecular Polaritonics: Chemical Dynamics Under Strong Light–Matter Coupling

Annual Review of Physical Chemistry
2022-04-20 | Journal article
DOI: 10.1146/annurev-physchem-090519-042621
Part of ISSN: 0066-426X
Part of ISSN: 1545-1593
Source: Self-asserted source
Tao E. Li

Polariton relaxation under vibrational strong coupling: Comparing cavity molecular dynamics simulations against Fermi’s golden rule rate

The Journal of Chemical Physics
2022-04-07 | Journal article
DOI: 10.1063/5.0079784
Contributors: Tao E. Li; Abraham Nitzan; Joseph E. Subotnik
Source: check_circle
Crossref

Collective Vibrational Strong Coupling Effects on Molecular Vibrational Relaxation and Energy Transfer: Numerical Insights via Cavity Molecular Dynamics Simulations**

Angewandte Chemie International Edition
2021-07-05 | Journal article
DOI: 10.1002/anie.202103920
Contributors: Tao E. Li; Abraham Nitzan; Joseph E. Subotnik
Source: check_circle
Crossref

Collective Vibrational Strong Coupling Effects on Molecular Vibrational Relaxation and Energy Transfer: Numerical Insights via Cavity Molecular Dynamics Simulations**

Angewandte Chemie
2021-07-05 | Journal article
DOI: 10.1002/ange.202103920
Contributors: Tao E. Li; Abraham Nitzan; Joseph E. Subotnik
Source: check_circle
Crossref

Cavity molecular dynamics simulations of vibrational polariton-enhanced molecular nonlinear absorption

The Journal of Chemical Physics
2021-03-07 | Journal article
DOI: 10.1063/5.0037623
Contributors: Tao E. Li; Abraham Nitzan; Joseph E. Subotnik
Source: check_circle
Crossref

Cavity molecular dynamics simulations of liquid water under vibrational ultrastrong coupling

Proceedings of the National Academy of Sciences
2020-08-04 | Journal article
DOI: 10.1073/pnas.2009272117
Contributors: Tao E. Li; Joseph E. Subotnik; Abraham Nitzan
Source: check_circle
Crossref

On the origin of ground-state vacuum-field catalysis: Equilibrium consideration

The Journal of Chemical Physics
2020-06-21 | Journal article
DOI: 10.1063/5.0006472
Contributors: Tao E. Li; Abraham Nitzan; Joseph E. Subotnik
Source: check_circle
Crossref

Quasiclassical modeling of cavity quantum electrodynamics

Physical Review A
2020-03-20 | Journal article
DOI: 10.1103/PhysRevA.101.033831
Contributors: Tao E. Li; Hsing-Ta Chen; Abraham Nitzan; Joseph E. Subotnik
Source: check_circle
Crossref

Understanding the nature of mean-field semiclassical light-matter dynamics: An investigation of energy transfer, electron-electron correlations, external driving, and long-time detailed balance

Physical Review A
2019-12-13 | Journal article
DOI: 10.1103/PhysRevA.100.062509
Contributors: Tao E. Li; Hsing-Ta Chen; Abraham Nitzan; Joseph E. Subotnik
Source: check_circle
Crossref

Understanding detailed balance for an electron-radiation system through mixed quantum-classical electrodynamics

Physical Review A
2019-07-11 | Journal article
DOI: 10.1103/physreva.100.010101
Part of ISSN: 2469-9926
Part of ISSN: 2469-9934
Source: Self-asserted source
Tao E. Li

Predictive Semiclassical Model for Coherent and Incoherent Emission in the Strong Field Regime: The Mollow Triplet Revisited

The Journal of Physical Chemistry Letters
2019-03-21 | Journal article
DOI: 10.1021/acs.jpclett.9b00181
Contributors: Hsing-Ta Chen; Tao E. Li; Abraham Nitzan; Joseph E. Subotnik
Source: check_circle
Crossref

Comparison of Different Classical, Semiclassical, and Quantum Treatments of Light–Matter Interactions: Understanding Energy Conservation

Journal of Chemical Theory and Computation
2019-03-12 | Journal article
DOI: 10.1021/acs.jctc.8b01232
Contributors: Tao E. Li; Hsing-Ta Chen; Joseph E. Subotnik
Source: check_circle
Crossref

Ehrenfest+R dynamics. I. A mixed quantum–classical electrodynamics simulation of spontaneous emission

The Journal of Chemical Physics
2019-01-28 | Journal article
DOI: 10.1063/1.5057365
Contributors: Hsing-Ta Chen; Tao E. Li; Maxim Sukharev; Abraham Nitzan; Joseph E. Subotnik
Source: check_circle
Crossref

Ehrenfest+R dynamics. II. A semiclassical QED framework for Raman scattering

The Journal of Chemical Physics
2019-01-28 | Journal article
DOI: 10.1063/1.5057366
Contributors: Hsing-Ta Chen; Tao E. Li; Maxim Sukharev; Abraham Nitzan; Joseph E. Subotnik
Source: check_circle
Crossref

Mixed quantum-classical electrodynamics: Understanding spontaneous decay and zero-point energy

Physical Review A
2018 | Journal article
DOI: 10.1103/PhysRevA.97.032105
EID:

2-s2.0-85044115422
Contributors: Li, T.E.; Nitzan, A.; Sukharev, M.; Martinez, T.; Chen, H.-T.; Subotnik, J.E.
Source: Self-asserted source
Tao E. Li via Scopus - Elsevier

A Necessary Trade-off for Semiclassical Electrodynamics: Accurate Short-Range Coulomb Interactions versus the Enforcement of Causality?

The Journal of Physical Chemistry Letters
2018-10-18 | Journal article
DOI: 10.1021/acs.jpclett.8b02309
Contributors: Tao E. Li; Hsing-Ta Chen; Abraham Nitzan; Maxim Sukharev; Joseph E. Subotnik
Source: check_circle
Crossref

Peer review (23 reviews for 7 publications/grants)

Review activity for ACS nano. (1)
Review activity for Biochemistry. (1)
Review activity for Journal of chemical physics. (13)
Review activity for Journal of physical chemistry. (3)
Review activity for Journal of the American Chemical Society. (1)
Review activity for Nature communications (2)
Review activity for The journal of physical chemistry letters. (2)
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