Publications

Research in quantum dynamics and molecular polaritons.

Articles, reviews, and collaborative work spanning spectroscopy, transport, collective strong coupling, and nonadiabatic dynamics.

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10 publications

Name highlighted in author lists

Each entry includes the original paper and PDF links, a detailed guide to the work, and a link to the general code repository.

202604 papers

Molecular vibrations forming a collective macroscopic state inside an optical cavity

Research article · Nature Communications

Vibrational Strong Coupling in Cavity QED forms a Macroscopic Quantum State

M. E. Mondal, S. M. Vega, P. Huo

Accepted in Nature Communications (2026)

Paper ↗PDF ↗Deep Dive →Code ↗
Long-lived upper and lower polariton coherence resolved in a two-dimensional electronic spectrum

Research article · PNAS

Long-Lived Polaritonic Coherence and Polaron Decoupling Effects in 2D Electronic Spectra

M. E. Mondal, S. Park, M. Son, A. N. Vamivakas, S. T. Cundiff, T. D. Krauss, P. Huo

PNAS 123, 17 (2026)

Paper ↗PDF ↗Deep Dive →Code ↗
A delocalized polariton wavepacket moving across a molecular chain along shared classical paths

Research article · Nano Letters

Ab Initio Polariton Transport Dynamics with the Classical Path Approximation

B. Chng, B. M. Weight, M. E. Mondal, P. Huo

Nano Letters 26, 18, 6055–6062 (2026)

Paper ↗PDF ↗Deep Dive →Code ↗
Collective polariton pathways connecting coherence, transport, and vibrational chemistry

Review · Annual Review of Physical Chemistry

Collective Effects in Polariton Chemistry and Photophysics

W. Ying, M. E. Mondal, E. R. Koessler, S. M. Vega, P. Huo

Annual Review of Physical Chemistry 77, 201–224 (2026)

Paper ↗PDF ↗Deep Dive →Code ↗

202503 papers

Importance-sampled collective pathways assembled into a two-dimensional polariton spectrum

Research article · The Journal of Chemical Physics

Polariton Spectra under the Collective Coupling Regime. II. Efficient Simulation of 2DES Spectra

M. E. Mondal, A. N. Vamivakas, S. T. Cundiff, T. D. Krauss, P. Huo

J. Chem. Phys. 162 (7), 074110 (2025)

Paper ↗PDF ↗Deep Dive →Code ↗
A sparse collective Hamiltonian flowing into an efficiently computed polariton spectrum

Research article · The Journal of Chemical Physics

Polariton Spectra under the Collective Coupling Regime. I. Efficient Simulation of Linear Spectra

M. E. Mondal, A. N. Vamivakas, S. T. Cundiff, T. D. Krauss, P. Huo

J. Chem. Phys. 162, 014114 (2025)

Paper ↗PDF ↗Deep Dive →Code ↗
A bright polariton packet crossing a molecular chain while dark states remain localized

Research article · Nano Letters

Quantum Dynamics Simulations of the Polariton Transport

B. Chng, M. E. Mondal, W. Ying, P. Huo

Nano Letters 25 (4), 1617–1622 (2025)

Paper ↗PDF ↗Deep Dive →Code ↗

202402 papers

Many disordered molecular lines narrowing into collective upper and lower polariton peaks

Research article · The Journal of Chemical Physics

Theory and Quantum Dynamics Simulations of Exciton-Polariton Motional Narrowing

W. Ying, M. E. Mondal, P. Huo

J. Chem. Phys. 161, 064105 (2024)

Paper ↗PDF ↗Deep Dive →Code ↗
Quantum transition paths compared by a local measure of adiabaticity

Research article · Physical Review Letters

Universal Measure for the Impact of Adiabaticity on Quantum Transitions

R. Pant, P. K. Verma, C. Rangi, M. E. Mondal, M. Bhati, V. Srinivasan, S. Wüster

Phys. Rev. Lett. 132, 126903 (2024)

Paper ↗PDF ↗Deep Dive →Code ↗

202301 paper

Ultrafast pulse pathways connecting an exciton-polariton Hamiltonian to a two-dimensional spectrum

Research article · The Journal of Chemical Physics

Quantum Dynamics Simulations of the 2D Spectroscopy of Exciton Polariton

M. E. Mondal, E. Koessler, A. N. Vamivakas, S. T. Cundiff, T. D. Krauss, P. Huo

J. Chem. Phys. 159, 094102 (2023)

Paper ↗PDF ↗Deep Dive →Code ↗