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1.

Quantum information scrambling and chemical reactions.

Zhang, Chenghao; Kundu, Sohang; Makri, Nancy; Gruebele, Martin; Wolynes, Peter G.

Proc Natl Acad Sci U S A ; 121(15): e2321668121, 2024 Apr 09.

Artículo en Inglés | MEDLINE | ID: mdl-38557180

2.

Intramolecular Vibrations in Excitation Energy Transfer: Insights from Real-Time Path Integral Calculations.

Kundu, Sohang; Makri, Nancy.

Annu Rev Phys Chem ; 73: 349-375, 2022 04 20.

Artículo en Inglés | MEDLINE | ID: mdl-35081322

3.

PathSum: A C++ and Fortran suite of fully quantum mechanical real-time path integral methods for (multi-)system + bath dynamics.

Kundu, Sohang; Makri, Nancy.

J Chem Phys ; 158(22)2023 Jun 14.

Artículo en Inglés | MEDLINE | ID: mdl-37293962

4.

Synthetic Control of Exciton Dynamics in Bioinspired Cofacial Porphyrin Dimers.

Roy, Partha Pratim; Kundu, Sohang; Valdiviezo, Jesús; Bullard, George; Fletcher, James T; Liu, Rui; Yang, Shiun-Jr; Zhang, Peng; Beratan, David N; Therien, Michael J; Makri, Nancy; Fleming, Graham R.

J Am Chem Soc ; 144(14): 6298-6310, 2022 04 13.

Artículo en Inglés | MEDLINE | ID: mdl-35353523

5.

B800-to-B850 relaxation of excitation energy in bacterial light harvesting: All-state, all-mode path integral simulations.

Kundu, Sohang; Dani, Reshmi; Makri, Nancy.

J Chem Phys ; 157(1): 015101, 2022 Jul 07.

Artículo en Inglés | MEDLINE | ID: mdl-35803821

6.

Electronic-vibrational density evolution in a perylene bisimide dimer: mechanistic insights into excitation energy transfer.

Kundu, Sohang; Makri, Nancy.

Phys Chem Chem Phys ; 23(29): 15503-15514, 2021 Jul 28.

Artículo en Inglés | MEDLINE | ID: mdl-34286768

7.

Origin of vibrational features in the excitation energy transfer dynamics of perylene bisimide J-aggregates.

Kundu, Sohang; Makri, Nancy.

J Chem Phys ; 154(11): 114301, 2021 Mar 21.

Artículo en Inglés | MEDLINE | ID: mdl-33752338

8.

Modular path integral for finite-temperature dynamics of extended systems with intramolecular vibrations.

Kundu, Sohang; Makri, Nancy.

J Chem Phys ; 153(4): 044124, 2020 Jul 28.

Artículo en Inglés | MEDLINE | ID: mdl-32752674

9.

Modular path integral for discrete systems with non-diagonal couplings.

Kundu, Sohang; Makri, Nancy.

J Chem Phys ; 151(7): 074110, 2019 Aug 21.

Artículo en Inglés | MEDLINE | ID: mdl-31438715

10.

Coherence Maps and Flow of Excitation Energy in the Bacterial Light Harvesting Complex 2.

Dani, Reshmi; Kundu, Sohang; Makri, Nancy.

J Phys Chem Lett ; 14(16): 3835-3843, 2023 Apr 27.

Artículo en Inglés | MEDLINE | ID: mdl-37067041

11.

Small Matrix Quantum-Classical Path Integral.

Kundu, Sohang; Makri, Nancy.

J Phys Chem Lett ; 13(15): 3492-3498, 2022 Apr 21.

Artículo en Inglés | MEDLINE | ID: mdl-35416671

12.

Tight inner ring architecture and quantum motion of nuclei enable efficient energy transfer in bacterial light harvesting.

Kundu, Sohang; Dani, Reshmi; Makri, Nancy.

Sci Adv ; 8(43): eadd0023, 2022 Oct 28.

Artículo en Inglés | MEDLINE | ID: mdl-36288310

13.

Franck-Condon and Herzberg-Teller Signatures in Molecular Absorption and Emission Spectra.

Kundu, Sohang; Roy, Partha Pratim; Fleming, Graham R; Makri, Nancy.

J Phys Chem B ; 126(15): 2899-2911, 2022 04 21.

Artículo en Inglés | MEDLINE | ID: mdl-35389662

14.

Interference between Franck-Condon and Herzberg-Teller Terms in the Condensed-Phase Molecular Spectra of Metal-Based Tetrapyrrole Derivatives.

Roy, Partha Pratim; Kundu, Sohang; Makri, Nancy; Fleming, Graham R.

J Phys Chem Lett ; 13(32): 7413-7419, 2022 Aug 18.

Artículo en Inglés | MEDLINE | ID: mdl-35929598

15.

Time Evolution of Bath Properties in Spin-Boson Dynamics.

Kundu, Sohang; Makri, Nancy.

J Phys Chem B ; 125(29): 8137-8151, 2021 07 29.

Artículo en Inglés | MEDLINE | ID: mdl-34282911

16.

Real-Time Path Integral Simulation of Exciton-Vibration Dynamics in Light-Harvesting Bacteriochlorophyll Aggregates.

Kundu, Sohang; Makri, Nancy.

J Phys Chem Lett ; 11(20): 8783-8789, 2020 Oct 15.

Artículo en Inglés | MEDLINE | ID: mdl-33001649

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Quantum information scrambling and chemical reactions.

Intramolecular Vibrations in Excitation Energy Transfer: Insights from Real-Time Path Integral Calculations.

PathSum: A C++ and Fortran suite of fully quantum mechanical real-time path integral methods for (multi-)system + bath dynamics.

Synthetic Control of Exciton Dynamics in Bioinspired Cofacial Porphyrin Dimers.

B800-to-B850 relaxation of excitation energy in bacterial light harvesting: All-state, all-mode path integral simulations.

Electronic-vibrational density evolution in a perylene bisimide dimer: mechanistic insights into excitation energy transfer.

Origin of vibrational features in the excitation energy transfer dynamics of perylene bisimide J-aggregates.

Modular path integral for finite-temperature dynamics of extended systems with intramolecular vibrations.

Modular path integral for discrete systems with non-diagonal couplings.

Coherence Maps and Flow of Excitation Energy in the Bacterial Light Harvesting Complex 2.

Small Matrix Quantum-Classical Path Integral.

Tight inner ring architecture and quantum motion of nuclei enable efficient energy transfer in bacterial light harvesting.

Franck-Condon and Herzberg-Teller Signatures in Molecular Absorption and Emission Spectra.

Interference between Franck-Condon and Herzberg-Teller Terms in the Condensed-Phase Molecular Spectra of Metal-Based Tetrapyrrole Derivatives.

Time Evolution of Bath Properties in Spin-Boson Dynamics.

Real-Time Path Integral Simulation of Exciton-Vibration Dynamics in Light-Harvesting Bacteriochlorophyll Aggregates.