S Kundu, N Makri - Annual Review of Physical Chemistry, 2022 - annualreviews.org
Excitation energy transfer (EET) is fundamental to many processes in chemical and biological systems and carries significant implications for the design of materials suitable for …
We report fully quantum mechanical simulations of excitation energy transfer within the peripheral light harvesting complex (LH2) of Rhodopseudomonas molischianum at room …
R Dani, S Kundu, N Makri - The Journal of Physical Chemistry …, 2023 - ACS Publications
We present and analyze coherence maps [J. Phys. Chem. B 2022, 126, 9361− 9375] to investigate the quantum coherences that are created, sustained, and damped by vibrational …
D Zhang, L Ye, J Cao, Y Wang, RX Xu… - Wiley …, 2024 - Wiley Online Library
Many‐body open quantum systems (OQSs) have a profound impact on various subdisciplines of physics, chemistry, and biology. Thus, the development of a computer …
N Makri - The Journal of Physical Chemistry Letters, 2024 - ACS Publications
An efficient, fully quantum mechanical, real-time path integral method for including the effects of static disorder in the dynamics of systems coupled to common or local harmonic …
A Bose, PL Walters - Journal of Chemical Theory and …, 2022 - ACS Publications
The recently introduced multisite tensor network path integral (MS-TNPI) allows simulation of extended quantum systems coupled to dissipative media. We use MS-TNPI to simulate the …
F Gallina, M Bruschi, R Cacciari… - Journal of Chemical …, 2024 - ACS Publications
Including the effect of the molecular environment in the numerical modeling of time-resolved electronic spectroscopy remains an important challenge in computational spectroscopy. In …
N Makri - The Journal of Chemical Physics, 2023 - pubs.aip.org
Some topological features of multisite Hamiltonians consisting of harmonic potential surfaces with constant site-to-site couplings are discussed. Even in the absence of …
A Bose, PL Walters - The Journal of Physical Chemistry B, 2023 - ACS Publications
The dynamics of the excitation energy transfer (EET) in photosynthetic complexes is an interesting question both from the perspective of fundamental understanding and the …