Arkajit Mandal
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Explore the profile of Arkajit Mandal including associated specialties, affiliations and a list of published articles.
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30
Citations
235
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Recent Articles
1.
Weight B, Mandal A, Hu D, Huo P
J Chem Phys
. 2025 Feb;
162(8).
PMID: 39998166
We perform on-the-fly non-adiabatic molecular dynamics simulations using the recently developed spin-mapping formalism. Two quantum dynamics approaches based on this mapping formalism, (i) the fully linearized Spin-LSC and (ii) the...
2.
Jasrasaria D, Mandal A, Reichman D, Berkelbach T
J Chem Phys
. 2025 Jan;
162(1).
PMID: 39745166
In this work, we investigate anharmonic vibrational polaritons formed due to strong light-matter interactions in an optical cavity between radiation modes and anharmonic vibrations beyond the long-wavelength limit. We introduce...
3.
Lindoy L, Mandal A, Reichman D
Nanophotonics
. 2024 Dec;
13(14):2617-2633.
PMID: 39678666
In this paper, we develop quantum dynamical methods capable of treating the dynamics of chemically reacting systems in an optical cavity in the vibrationally strong-coupling (VSC) limit at finite temperatures...
4.
Cui Z, Mandal A, Reichman D
J Chem Theory Comput
. 2024 Feb;
20(3):1143-1156.
PMID: 38300885
We apply the Lang-Firsov (LF) transformation to electron-boson coupled Hamiltonians and variationally optimize the transformation parameters and molecular orbital coefficients to determine the ground state. Møller-Plesset (MP-, with = 2...
5.
Mandal A, Taylor M, Weight B, Koessler E, Li X, Huo P
Chem Rev
. 2023 Aug;
123(16):9786-9879.
PMID: 37552606
When molecules are coupled to an optical cavity, new light-matter hybrid states, so-called polaritons, are formed due to quantum light-matter interactions. With the experimental demonstrations of modifying chemical reactivities by...
6.
Mandal A, Taylor M, Huo P
J Phys Chem A
. 2023 Jul;
127(32):6830-6841.
PMID: 37499090
We provide a simple and intuitive theory to explain how coupling a molecule to an optical cavity can modify ground-state chemical reactivity by exploiting intrinsic quantum behaviors of light-matter interactions....
7.
Xu D, Mandal A, Baxter J, Cheng S, Lee I, Su H, et al.
Nat Commun
. 2023 Jun;
14(1):3881.
PMID: 37391396
Semiconductor excitations can hybridize with cavity photons to form exciton-polaritons (EPs) with remarkable properties, including light-like energy flow combined with matter-like interactions. To fully harness these properties, EPs must retain...
8.
Lindoy L, Mandal A, Reichman D
Nat Commun
. 2023 May;
14(1):2733.
PMID: 37173299
Recent experiments suggest that ground state chemical reactivity can be modified when placing molecular systems inside infrared cavities where molecular vibrations are strongly coupled to electromagnetic radiation. This phenomenon lacks...
9.
Mandal A, Xu D, Mahajan A, Lee J, Delor M, Reichman D
Nano Lett
. 2023 Apr;
23(9):4082-4089.
PMID: 37103998
We develop a microscopic theory for the multimode polariton dispersion in materials coupled to cavity radiation modes. Starting from a microscopic light-matter Hamiltonian, we devise a general strategy for obtaining...
10.
Hu D, Mandal A, Weight B, Huo P
J Chem Phys
. 2022 Nov;
157(19):194109.
PMID: 36414442
We generalize the quasi-diabatic (QD) propagation scheme to simulate the non-adiabatic polariton dynamics in molecule-cavity hybrid systems. The adiabatic-Fock states, which are the tensor product states of the adiabatic electronic...