Nuclear Gradient Expressions for Molecular Cavity Quantum Electrodynamics Simulations using the Mixed Quantum-Classical Methods W Zhou, D Hu, A Mandal, P Huo*
chemRxiv (2022) link pdf pdf 25
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 *
arXiv (2022) link pdf pdf 24
Resonant Cavity Modification of Ground State Chemical Kinetics L Lindoy, A Mandal, D Reichman *
The Journal of Physical Chemistry Letters accepted (2022) link pdf 23
Incorporating Lindblad Decay Dynamics into Mixed Quantum-Classical Simulations E Koessler* , A Mandal, P Huo*
The Journal of Chemical Physics accepted (2022) link pdf pdf 22
Resolving Ambiguities of the Mode Truncation in Cavity Quantum Electrodynamics M Taylor, A Mandal, P Huo*
Optics Letters 47 (6) 1446 (2022) link pdf pdf 21
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) link pdf 20
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) link pdf 19
Polariton Induced Conical Intersection and Berry Phase M Farag, A Mandal, P Huo*
Physical Chemistry Chemical Physics 23 (31) 16868 (2021) link pdf 18
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) link pdf 17
Molecular Polaritons Generated from Strong Coupling between CdSe Nanoplatelets and a Dielectric Optical Cavity L Qiu, A Mandal, O Morshed, M T Meidenbauer, W Girten, P Huo* , A N Vamivakas* , T D Krauss*
The Journal of Physical Chemistry Letters 12 (20) 5030 (2021) link pdf
Cover See Cover at link
16
Cavity Frequency-Dependent Theory for Vibrational Polariton Chemistry X Li, A Mandal* , P Huo*
Nature Communications 12 (1) 1315 (2021) link pdf
Featured Article Featured in the 'Inorganic and Physical Chemistry' Section
15
Ring-Polymer Quantization of Photon Field in Polariton Chemistry S Chowdhury, A Mandal , P Huo*
The Journal of Chemical Physics 154 (4) 044109 (2021) 14 link pdf
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) link pdf
Cover See Cover at link
13
Resolution of Gauge Ambiguities in Molecular Cavity Quantum Electrodynamics M Taylor† † *
Physical Review Letters 125 (12) 123602 (2020) 12 link pdf
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) 11 link pdf
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) 10 link pdf
Investigating New Reactivities Enabled by Polariton Photochemistry A Mandal, P Huo*
The Journal of Physical Chemistry Letters 10 (18), 5519 (2019) link pdf
Top Cited at JPCL Among "Top Cited Articles Published in 2019 and 2020 " at JPCL. link
9
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) 8 link pdf
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) 7 link pdf
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) 6 link pdf
Quasi-Diabatic Representation for Nonadiabatic Dynamics Propagation A Mandal† † *
Journal of Chemical Theory and Computation 14 (4), 1828-1840 (2018) 5 link pdf
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) 4 link pdf
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) 3 link pdf
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) 2 link pdf
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) 1 link pdf
