Publications

† Equal Contribution     * Corresponding Author 

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Investigating the Collective Nature of Cavity Modified Chemical Kinetics under Vibrational Strong Coupling

L Lindoy, A Mandal , D Reichman *

Nanophotonics
13 (14), 2617-2633 (2024)
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Variational Lang-Firsov approach plus Møller-Plesset perturbation theory with applications to ab initio polariton chemistry

Z Cui *, A Mandal , D Reichman *

Journal of Chemical Theory and Computation
20 (3) 1143–1156 (2024)
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A Theory for Cavity Modified Ground-State Reactivities via Electron-Photon Interactions

A Mandal † M. Taylor †, P Huo * ,

The Journal of Physical Chemistry A
127 (32) 6635 (2023)
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Theoretical Advances in Polariton Chemistry and Molecular Cavity Quantum Electrodynamics

A Mandal†*, M. Taylor†, B. Weight†, E. Koessler†, X Li, P Huo* ,

Chemical Reviews
123 (16) 9786 (2023)
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Ultrafast Imaging of Polariton Propagation and Interactions

D Xu†, A Mandal†, J Baxter, S Cheng, I Lee, I Su, S Liu, D Reichman *, M Delor *

Nature Communication
14 (1) 3881 (2023)
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Microscopic Theory of Multimode Polariton Dispersion in Multilayered Materials

A Mandal*, D. Xu, A. Mahajan, J. Lee, M. E. Delor, D. Reichman* ,

Nano Letters
23 (9) 4082 (2023)
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Quantum Dynamical Effects of Vibrational Strong Coupling in Chemical Reactivity

L Lindoy, A Mandal, D Reichman *

Nature Communications
14 2733 (2023)
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Quasi-Diabatic Propagation Scheme for Simulating Polariton Chemistry

D Hu*, A Mandal, B Weight, P. Huo *

The Journal of Chemical Physics
157 (10) 104118 (2022)
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Resonant Cavity Modification of Ground State Chemical Kinetics

L Lindoy, A Mandal, D Reichman *

The Journal of Physical Chemistry Letters
13 (28) 6580 (2022)
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Nuclear Gradient Expressions for Molecular Cavity Quantum Electrodynamics Simulations using the Mixed Quantum-Classical Methods

W Zhou, D Hu, A Mandal, P Huo*

The Journal of Chemical Physics
157 (10), 104118 (2022)
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Incorporating Lindblad Decay Dynamics into Mixed Quantum-Classical Simulations

E Koessler* , A Mandal, P Huo*

The Journal of Chemical Physics
157 (6) 064101  (2022)
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Resolving Ambiguities of the Mode Truncation in Cavity Quantum Electrodynamics

M Taylor, A Mandal, P Huo*

Optics Letters
47 (6) 1446 (2022)
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Theory of Vibrational Polariton Chemistry in the Collective Coupling Regime

A Mandal*, X. Li, P Huo*

The Journal of Chemical Physics
156 (1) 014101 (2022)
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Ab-initio Symmetric Quasi-Classical Approach to Investigate Molecular Tully Models

B Weight, A Mandal, P Huo*

The Journal of Chemical Physics
155 (8) 084106  (2021)
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Polariton Induced Conical Intersection and Berry Phase

M Farag, A Mandal, P Huo*

Physical  Chemistry Chemical Physics
23 (31) 16868  (2021)
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Theory of Mode-Selective Chemistry through Polaritonic Vibrational Strong Coupling

X Li*, A Mandal*, P Huo*

The Journal of Physical Chemistry Letters
12 (29) 6974 (2021)
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Molecular Polaritons Generated from Strong Coupling between CdSe Nanoplatelets and a Dielectric Optical Cavity

L Qiu, A Mandal, O Morshed, M Meidenbauer, W Girten, P Huo*, A Vamivakas*, T Krauss*

The Journal of Physical Chemistry Letters
12 (20) 5030  (2021)
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Cavity Frequency-Dependent Theory for Vibrational Polariton Chemistry

X Li, A Mandal* , P Huo*

Nature Communications
12 (1) 1315  (2021)
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Article

Ring-Polymer Quantization of Photon Field in Polariton Chemistry

S Chowdhury, A Mandal , P Huo*

The Journal of Chemical Physics
154 (4) 044109 (2021)
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Polarized Fock States and the Dynamical Casimir Effect in Molecular Cavity Quantum Electrodynamics

A Mandal*, S M Vega, P Huo*

The Journal of Physical Chemistry Letters
11 (21) 9215  (2020)
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Resolution of Gauge Ambiguities in Molecular Cavity Quantum Electrodynamics

M Taylor†, A Mandal†, W Zhou, P Huo*

Physical Review Letters
125 (12) 123602  (2020)
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Polariton Mediated Electron Transfer via Cavity Quantum Electrodynamics

A Mandal*, T D Krauss*, P Huo*

The Journal of Physical Chemistry B
124(29) 6321 (2020)
linkpdfTop Cited
at JPCB

Quasi-Diabatic Scheme for Nonadiabatic
On-the-Fly Simulations

W Zhou, A Mandal, P Huo*

The Journal of Physical Chemistry Letters
10 (22), 7062 (2019)
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Investigating New Reactivities Enabled by Polariton Photochemistry

A Mandal, P Huo*

The Journal of Physical Chemistry Letters
10 (18), 5519 (2019)
linkpdfTop Cited
at JPCL

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

A Mandal, J S Sandoval, F A Shakib*, P Huo*

The Journal of Physical Chemistry A
123 (12), 2470 (2019)
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Symmetric Quasi-Classical Dynamics With Quasi-Diabatic Propagation Scheme

J S Sandoval, A Mandal, P Huo*

The Journal of Chemical Physics
149 (4), 044115 (2018)
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Investigating Photoinduced Proton Coupled Electron Transfer Reaction using Quasi Diabatic Dynamics Propagation

A Mandal, F A Shakib, P Huo*

The Journal of Chemical Physics
148 (24), 244102 (2018)
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Quasi-Diabatic Representation for Nonadiabatic Dynamics Propagation

A Mandal†, SRKC Yamijala†, P Huo*

Journal of Chemical Theory and Computation
14 (4), 1828-1840 (2018)
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Modulating Nonlinear Optical Properties of Impurity Doped Quantum Dots via the Interplay Between Anisotropy and Gaussian White Noise

S Sarkar, A Ghosh, A Mandal, M Ghosh*

Superlattices and Microstructures
90, 297-307 (2016)
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Influence of Position-Dependent Effective Mass on the Nonlinear Optical Properties of Impurity Doped Quantum Dots in Presence of Gaussian White Noise

A Ghosh, A Mandal, S Sarkar, M Ghosh*

Optics Communication
367, 325-334 (2016)
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Analyzing Total Optical Absorption Coefficient of Impurity Doped Quantum Dots in Presence of Noise With Special Emphasis on Electric Field, Magnetic Field and Confinement Potential

A Mandal , S Sarkar, A Ghosh, M Ghosh*

Chemical Physics
463, 149-158 (2015)
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Diffusion of Small Solute Particles in Viscous Liquids: Cage Diffusion, a Result of Decoupling of Solute–Solvent Dynamics, Leads to Amplification of Solute Diffusion

S Acharya, M K Nandi, A Mandal, S Sarkar, S M Bhattacharyya*

The Journal of Physical Chemistry B
119 (34), 11169-11175 (2015)
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