Publications

 

Monograph

Molecular Excitation Dynamics and Relaxation: Quantum Theory and Spectroscopy Leonas Valkunas, Darius Abramavicius and Tomás Mancal

Selected Publications

• Coherent Multidimensional Optical Spectroscopy of Excitons in Molecular Aggregates; Quasiparticle versus Supermolecule Perspectives
  D. Abramavicius, B. Palmieri, D .V. Voronine, S. Mukamel
  Chem. Rev. 109, 2350-2408 (2009).
• Quantum oscillatory exciton migration in photosynthetic reaction centers
  D. Abramavicius, S. Mukamel
  J. Chem. Phys. 133, 064510 (2010).
• Vibronic coherence in oxygenic photosynthesis
  F. D. Fuller, J. Pan, A. Gelzinis, V. Butkus, S. Seckin Senlik, D. E. Wilcox, C. F. Yocum, L. Valkunas, D. Abramavicius, J. P. Ogilvie
  Nature Chem.6, 706-711 (2014).
• Vibronic phenomena and exciton-vibrational interference in two-dimensional spectra of molecular aggregates
  V. Butkus, L. Valkunas, D. Abramavicius
  J. Chem. Phys. 140, 034306 (2014).
• Role of coherence and delocalization in photo-induced electron transfer at organic interfaces
  V. Abramavicius, V. Pranculis, A. Melianas, O. Inganas, V.Gulbinas, D. Abramavicius
  Scientific. Reports, 6, 32914 (2016).

Research Articles (2013-2017)

2017

• Role of Bath Fluctuations in the Double Excitation Manifold in Shaping the 2DES of Bacterial Reaction Centers at Low Temperature
  O. Rancova, R. Jankowiak, D. Abramavicius
  J. Phys. Chem. B,Just Accepted, doi:10.1021/acs.jpcb.7b08905 (2017)
• Two-dimensional electronic spectroscopy of anharmonic molecular potentials
  A. Anda, D. Abramavicius, T. Hansen
  Phys. Chem. Chem. Phys. doi: 10.1039/c7cp06583c (2017)
• Origin of non-Gaussian site energy disorder in molecular aggregates,
  O. Rancova, M. Jakučionis, L. Valkunas, D. Abramavicius,
  Chem. Phys. Lett., 674 120 (2017).
• Temporal dynamics of excitonic states with nonlinear electron-vibrational coupling,
  V. Chorošajev, T. Marčiulionis, D. Abramavicius,
  J. Chem. Phys. , 147, 074114 (2017).
• Spectroscopic properties of photosystem II reaction center revisited,
  A. Gelzinis, D. Abramavicius, J. P. Ogilvie, L. Valkunas,
  J. Chem. Phys. 147 , 115102 (2017).
• Discrimination of Diverse Coherences Allows Identification of Electronic Transitions of a Molecular Nanoring,
  V. Butkus, J. Alster, E. Bašinskaitė, R. Augulis, P. Neuhaus, L. Valkunas, H. L. Anderson, D. Abramavicius, D. Zigmantas,
  J. Phys. Chem. Lett., 8, 2344 (2017).
• Multistep Photoluminescence Decay Reveals Dissociation of Geminate Charge Pairs in Organolead Trihalide Perovskites,
  R. Augulis, M. Franckevičius, V. Abramavičius, D. Abramavičius, S. M. Zakeeruddin, M. Grätzel, V. Gulbinas
  Adv. Energy Mater., 1700405 (2017).
• Ultrafast energy transfer within the photosystem II core complex,
  J. Pan, A. Gelzinis, V. Chorošajev, M. Vengris, S. S. Senlik, J.-R. Shen, L. Valkunas, D. Abramavicius J. P. Ogilvie,
  Phys. Chem. Chem. Phys. 19, 15356 (2017).
• Effects of tunable excitation in carotenoids explained by the vibrational energy relaxation approach,
  V. Balevičius Jr., C. N. Lincoln, D. Viola, G. Cerullo, J. Hauer, D. Abramavicius,
  Photosynth Res. 24,  doi: 10.1007/s11120-017-0423-6 (2017).

2016

• Disorder-Induced Quantum Beats in Two-Dimensional Spectra of Excitonically Coupled Molecules
  V. Butkus, H. Dong, G. R. Fleming, D. Abramavicius, L. Valkunas
  J. Phys. Chem. Lett. 7, 277−282 (2016)
• Artificial Photosynthesis: Theoretical Background.
  D. Abramavicius, L. Valkunas,
  In R. Bruno (Ed.), Artificial Photosynthesis, pp. 129–167 (2016).
• Role of coherent vibrations in energy transfer and conversion in photosynthetic pigment–protein complexes
  D. Abramavicius, L. Valkunas,
  Photosynth Res, 127, 33 (2016).
• Absorption and Fluorescence Lineshape Theory for Polynomial Potentials,
  A. Anda, L. De Vico, T. Hansen, D. Abramavičius,
  J. Chem. Theory Comput., 12, 5979, (2016).
• A Unified Picture of S* in Carotenoids,
  V. Balevičius, Jr., D. Abramavicius, T. Polívka, A. G. Pour, J. Hauer,
  J. Phys. Chem. Lett., 7, 3347 (2016).
• Polaronic effects at finite temperatures in the B850 ring of the LH2 complex,
  V. Chorošajev, O. Rancova, D. Abramavicius,
  Phys. Chem. Chem. Phys., 18, 7966 (2016).
• Mutation-Induced Changes in the Protein Environment and Site Energies in the (M)L214G Mutant of the Rhodobacter sphaeroides Bacterial Reaction Center
  R. Jankowiak, O. Rancova, J. Chen, A. Kell, R. G. Saer, J. T. Beatty, D. Abramavicius,
  J. Phys. Chem. B,  120, 7859 (2016).
• Benchmarking the stochastic time-dependent variational approach for excitation dynamics in molecular aggregates
  V. Chorošajev, A. Gelzinis, L. Valkunas, D. Abramavicius,
  Chem. Phys., 481, 108 (2016).
• Band Structure of the Rhodobacter sphaeroides Photosynthetic Reaction Center from Low-Temperature Absorption and Hole-Burned Spectra
  O. Rancova, R. Jankowiak, A. Kell, M. Jassas, D. Abramavicius,
  J. Phys. Chem. B,  120, 5601 (2016).
• Role of coherence and delocalization in photo-induced electron transfer at organic interfaces,
  V. Abramavicius, V. Pranculis, A. Melianas, O. Inganäs, V. Gulbinas, D. Abramavicius,
  Sci Rep.86, 32914 (2016).

2015

• Mapping energy transfer channels in fucoxanthin–chlorophyll protein complex
  A. Gelzinis, V. Butkus, E. Songaila, R. Augulis, A. Gall, C. Büchel, B. Robert, D. Abramavicius, D. Zigmantas, and L. Valkunas,
  Biochimica et Biophysica Acta (BBA) – Bioenergetics, 1847, 241-247, (2015).
• Coherence and population dynamics of chlorophyll excitations in FCP complex: Two-dimensional spectroscopy study
  V. Butkus, A. Gelzinis, R. Augulis, A. Gall, C. Büchel, B. Robert, D. Zigmantas, L. Valkunas, D. Abramavicius
  J. Chem. Phys. 142, 212414 (2015).
• Probing environment fluctuations by two-dimensional electronic spectroscopy of molecular systems at temperatures below 5 K
  O. Rancova, R. Jankowiak, D. Abramavicius
  J. Chem. Phys. 142, 212428 (2015).
• Role of coherent vibrations in energy transfer and conversion in photosynthetic pigment–protein complexes
  D. Abramavicius, L. Valkunas,
  Photosynth. Res. DOI 10.1007/s11120-015-0080-6
• Absorption lineshapes of molecular aggregates revisited
  Gelzinis, D. Abramavicius, L. Valkunas
  J. Chem. Phys. 142, 154107 (2015)
• Modeling of ultrafast time-resolved fluorescence applied to a weakly coupled chromophore pair,
  Balevičius Jr. , L. Valkunas , D. Abramavicius,
  J. Chem. Phys. 143, 074101 (2015).
• Vibronic energy relaxation approach highlighting deactivation pathways in carotenoids
  Balevičius Jr., A. G. Pour, J. Savolainen, C. N. Lincoln, V. L. Lukeš, E. Riedle, L. Valkunas, D. Abramavicius, J. Hauer,
  Phys. Chem. Chem. Phys., 17, 19491 (2015).

2014

• Carrier motion in as-spun and annealed P3HT:PCBM blends revealed by ultrafast optical electric field probing and Monte Carlo simulations.
  V. Abramavičius, D. A. Vithanage, A. Devižis, Y. Infahsaeng, A. Bruno, S. Foster, P. E Keivanidis, D. Abramavičius, J. Nelson, A. Yartsev, V. Sundström, V. Gulbinas
  Phys. Chem. Chem. Phys. 2014,16, 2686-2692
• Excitation transfer pathways in excitonic agrgegates revealed by the stochastic Schrodinger equation
  V. Abramavicius, D. Abramavicius,
  J. Chem. Phys. 140, 065103 (2014).
• Vibronic models for nonlinear spectroscopy simulations
  E. Bašinskaitė, V. Butkus, D. Abramavicius, L. Valkunas
  Photosynth. Res. (2014) 121:95–106
• Vibronic phenomena and exciton-vibrational interference in two-dimensional spectra of molecular aggregates
  V. Butkus, L. Valkunas, D. Abramavicius,
  J. Chem. Phys. 140, 034306 (2014).
• Dynamics of exciton-polaron transition in molecular assemblies: The variational approach
  V. Chorosajev, A. Gelzinis, L. Valkunas, D. Abramavicius,
  J. Chem. Phys. 140, 244108 (2014).
• Vibronic coherence in oxygenic photosynthesis
  D. Fuller, J. Pan, A. Gelzinis, V. Butkus, S. S. Senlik, D. E. Wilcox, C. F. Yocum, L. Valkunas, D. Abramavicius, J. P. Ogilvie,
  Nature Chem. 6, 706-711 (2014).
• Static and Dynamic Disorder in Bacterial Light-Harvesting Complex LH2: A 2DES Simulation Study,
  O. Rancova, D. Abramavicius,
  J. Phys. Chem. B 118, 7533-7540 (2014).

2013

• Exciton-exciton scattering in a one-dimensional J aggregate
  D. Abramavicius
  EPL (Europhysics Letters) 101, 57007 (2013).
• Ultrafast Energy Transfer from Chlorophyll c2 to Chlorophyll a in Fucoxanthin−Chlorophyll Protein Complex
  E. Songaila, R. Augulis, A. Gelzinis, V. Butkus, A. Gall, C. Buchel, B. Robert, D. Zigmantas, D. Abramavicius, L. Valkunas
  J. Phys. Chem. Lett. 4, 3590, 2013
• Simulations of the Two-Dimensional Electronic Spectroscopy of the Photosystem II Reaction Center.
  K. L. M. Lewis, F. D. Fuller, J. A. Myers, C. F. Yocum, S. Mukamel, D. Abramavicius, J. Ogilvie
  J. Phys. Chem. A 117, 34-41 (2013).
• Tight-binding model of the photosystem II reaction center: application to two-dimensional electronic spectroscopy
  A. Gelzinis, L. Valkunas, F. D. Fuller, J. P. Ogilvie, S. Mukamel, D. Abramavicius
  New J. Phys. 15, 075013 (2013).
• Distinctive character of electronic and vibrational coherences in disordered molecular aggregates
  V. Butkus, D. Zigmantas, D. Abramavicius, L. Valkunas
  Chem. Phys. Lett. 587, 93 (2013).
• Visualizing charge separation in bulk heterojunction organic solar cells.
  D. Amarasinghe Vithanage, A. Devižis, V. Abramavičius, Y. Infahsaeng, D. Abramavičius, R. C. I. Mackenzie, P. E. Keivanidis, A. Yartsev, D. Hertel, J. Nelson, V. Sundström, V. Gulbinas
  Nature Comm 4, 2334 (2013).
• Exchange narrowing and exciton delocalization in disordered J aggregates: Simulated peak shapes in the two dimensional spectra.
  J. Han, H. Zhang, D. Abramavicius
  J. Chem. Phys. 139, 034313 (2013).
• Manifestation of protein conformations in the B850 absorption band of light-harvesting complex LH2
  J. Meldaikis, O. Zerlauskiene, D. Abramavicius, L. Valkunas,
  Chem. Phys. 423, 9–14 (2013).
• Excitons in the LH3 complexes from purple bacteria
  E. Chmeliov, E. Songaila, O. Rancova, A. Gall, B. Robert, D. Abramavicius, L. Valkunas
  J. Phys. Chem. B 117, 11058−11068 (2013).
• Excitation energy transfer and quenching in a heterodimer: applications to the carotenoid-phtalocyanine dyads
  V. Balevicius Jr., A. Gelzinis, D. Abramavicius, L. Valkunas,
  J. Phys. Chem. B. 117, 11031−11041 (2013).