Tomas Mancal
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Explore the profile of Tomas Mancal including associated specialties, affiliations and a list of published articles.
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44
Citations
871
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Recent Articles
1.
Nothling J, Mancal T, Kruger T
J Chem Phys
. 2025 Jan;
162(2.
PMID: 39774891
Much can be learned about molecular aggregates by modeling their fluorescence-type spectra. In this study, we systematically describe the accuracy of various methods for simulating fluorescence-type linear spectra in a...
2.
Jankovic V, Mancal T
J Chem Phys
. 2024 Nov;
161(20).
PMID: 39589224
Computationally tractable and reliable, albeit approximate, methods for studying exciton transport in molecular aggregates immersed in structured bosonic environments have been actively developed. Going beyond the lowest-order (Born) approximation for...
3.
Nothling J, Mancal T, Kruger T
J Chem Phys
. 2022 Sep;
157(9):095103.
PMID: 36075709
The accuracy of approximate methods for calculating linear optical spectra depends on many variables. In this study, we fix most of these parameters to typical values found in photosynthetic light-harvesting...
4.
Slama V, Rajabi S, Mancal T
J Chem Phys
. 2022 May;
156(18):185102.
PMID: 35568553
We investigate the prospect of using a two-dimensional material, fluorographene, to mimic the light-harvesting function of natural photosynthetic antennas. We show by quantum chemical calculations that isles of graphene in...
5.
Policht V, Niedringhaus A, Willow R, Laible P, Bocian D, Kirmaier C, et al.
Sci Adv
. 2022 Jan;
8(1):eabk0953.
PMID: 34985947
We report two-dimensional electronic spectroscopy (2DES) experiments on the bacterial reaction center (BRC) from purple bacteria, revealing hidden vibronic and excitonic structure. Through analysis of the coherent dynamics of the...
6.
Jankovic V, Mancal T
J Chem Phys
. 2020 Dec;
153(24):244110.
PMID: 33380098
We formulate a comprehensive theoretical description of excitation harvesting in molecular aggregates photoexcited by weak incoherent radiation. An efficient numerical scheme that respects the continuity equation for excitation fluxes is...
7.
Jankovic V, Mancal T
J Chem Phys
. 2020 Dec;
153(24):244122.
PMID: 33380075
We present a rigorous theoretical description of excitonic dynamics in molecular light-harvesting aggregates photoexcited by weak-intensity radiation of arbitrary properties. While the interaction with light is included up to the...
8.
Slama V, Perlik V, Langhals H, Walter A, Mancal T, Hauer J, et al.
Front Chem
. 2020 Dec;
8:579166.
PMID: 33330367
Spectral and dynamical properties of molecular donor-acceptor systems strongly depend on the steric arrangement of the constituents with exciton coupling as a key control parameter. In the present work we...
9.
Jakucionis M, Mancal T, Abramavicius D
Phys Chem Chem Phys
. 2020 Apr;
22(16):8952-8962.
PMID: 32292968
Effects of non-linear coupling between the system and the bath vibrational modes on the system internal conversion dynamics are investigated using the Dirac-Frenkel variational approach with a newly defined sD2...
10.
Cao J, Cogdell R, Coker D, Duan H, Hauer J, Kleinekathofer U, et al.
Sci Adv
. 2020 Apr;
6(14):eaaz4888.
PMID: 32284982
Photosynthesis is a highly optimized process from which valuable lessons can be learned about the operating principles in nature. Its primary steps involve energy transport operating near theoretical quantum limits...