Use this link for all publications of our group.

Forthcoming:

  1. Z.-W. Qu, H. Zhu, and V. May:
    Vibrational Spectral Signatures of Peptide Secondary Structures:
    N-methylation and Side-chain Hydrogen Bond in Cyclosporin A
    J. Comp. Chem. (in press).

  2. L. Wang and V. May:
    External Field Control of Current Formation Through Single Molecules:
    Switching Effects, Transient Currents and Luminescence Spectra
    J. Electro. Chem. (submitted).

2010

  1. L. Wang and V. May:
    Charge Transmission Through Single Molecules: Effects of
    Nonequilibrium Molecular Vibrations and Photoinduced Transitions
    Chem. Phys. 375, 252 (2010).

  2. Z.-W. Qu, H. Zhu, and V. May:
    Unambiguous Assignment of Vibrational Spectra of Cyclosporins A and H
    J. Phys. Chem. A 114, 9768 (2010).

  3. L. Wang and V. May:
    Optical Switching of Charge Transmission Through a Single Molecule:
    Effects of Contact Excitations and Molecule Heating
    J. Phys. Chem. C 114, 4179 (2010).

2009

  1. L. Wang and V. May:
    Laser Pulse Control of Bridge Mediated Heterogeneous Electron Transfer
    Chem. Phys. 361, 1 (2009).

2008

  1. B. Brüggemann, P. Persson, H.-D. Meyer, and V. May:
    Frequency Dispersed Transient Absorption Spectra of Dissolved Perylen:
    A Case Study Using the Density Matrix Version of the MCTDH Method
    Chem. Phys. 347, 152. (2008).

  2. J. Liebers, U. Kleinekathöfer, and V. May:
    Sequences of Ultrafast Non-Resonant Multiphoton Transitions
    in a Three-Electronic Level Molecule
    Chem. Phys. 347, 229 (2008)

  3. V. May and O. Kühn:
    Optical Field Control of Charge Transmission Through a Molecular Wire:
    I. Generalized Master Equation Description
    Phys. Rev. B 77, 115439 (2008).

  4. V. May and O. Kühn:
    Optical Field Control of Charge Transmission Through a Molecular Wire:
    II. Photo-Induced Removal of the Franck-Condon Blockade
    Phys. Rev. B 77, 115440 (2008).

  5. V. May and O. Kühn:
    Photoinduced Removal of the Franck-Condon Blockade in Single Electron Inelastic Charge Transmission
    Nano Lett. 8, 1095 (2008).

  6. D. V. Tsivlin, F. Willig, and V. May:
    Two-Photon Photon Emission Spectra
    of Heterogeneous Electron Transfer
    Phys. Rev. B 77, 035319 (2008).

2007

  1. E. G. Petrov, Ya. R. Zelinskyy, V. May, and P. Hänggi:
    Charge Transmission through a Molecular Wire:
    How Can the Terminal Wire Units Affect the Current-Voltage Behavior
    J. Chem. Phys. 127, 084709 (2007).

  2. V. May, D. Ambrosek, M. Oppel, and L. Gonzales:
    Ultrafast Non-Resonant Multiphoton Transitions in Polyatomic Molecules:
    Basics and Application in Optimal Control Theory
    J. Chem. Phys. 127, 144102 (2007).

  3. D. Tsivlin and V. May:
    Multidimensional Wave Packet Dynamics in Polypeptides:
    Coupled Amide-Exciton Chain-Vibrational Motion in an alpha-Helix
    Chem. Phys. 338, 150 (2007).

  4. B. Brüggemann, T. Pullerits, and V. May:
    Laser Pulse Control of Exciton Dynamics
    in a Biological Chromophore Complex
    J. Photochem. Photobio. A 190, 372 (2007).

  5. B. Brüggemann and V. May:
    Laser Pulse Control of Excitation Energy Dynamics in
    Biological Chromophore Complexes
    in "Analysis and Control of Ultrafast Photoinduced Reactions",
    O. Kühn and L. Wöste (eds.),
    Springer Series in Chemical Physics Vol. 87 (Springer-Verlag, 2007), p. 774.

  6. L. Wang, V. May, R. Ernstorfer, J. Gundlach and F. Willig:
    Ultrafast Photoinduced Electron Transfer
    from Anchored Molecules into Semiconductors
    in "Analysis and Control of Ultrafast Photoinduced Reactions",
    O. Kühn and L. Wöste (eds.),
    Springer Series in Chemical Physics Vol. 87 (Springer-Verlag, 2007), p. 437.

  7. V.May:
    Optimal Control Theory: Application to Polyatomic Systems
    Proceedings of the CCP6 workshop "The Coherent Control of Molecules",
    p. 40 (Daresbury Lab., UK, 2007).

  8. L. Wang, F. Willig, and V. May:
    Theory of Ultrafast Heterogeneous Electron Transfer:
    Contributions of Direct Charge Transfer Excitations to the Absorbance
    J. Chem. Phys.126, 134110 (2007).

2006

  1. B. Brüggemann, D.V. Tsivlin, and V. May:
    Ultrafast Exciton Dynamics in Molecular Systems
    in D. A. Micha and I. Burghardt (eds.)
    Quantum Dynamics in Complex Molecular Systems.
    Springer Series in Chemical Physics Vol. 83, p. 31-56
    (Springer-Verlag, 2006).

  2. D. Ambrosek, M. Oppel, L. Gonzales, and V. May:
    Application of the Optimal Control Theory to Ultrafast Non-Resonant
    Multiphoton Transitions in Polyatomic Molecules
    Opt. Comm. 264, 502 (2006).

  3. B. Brüggemann, T. Pullerits, and V. May:
    Laser Pulse Control of Exciton Dynamics in the FMO Complex:
    Polarization Shaping versus Effects of Structural and Energetic Disorder
    J. Photochem. Photobio. A 180, 322 (2006), special issue on coherent control
    of photochemical and photobiological processes, ed.: J. L. Herek.

  4. E. G. Petrov, Ya. R. Zelinskyy, V. May, and P. Hänggi:
    Kinetic Control of the Current through a Single Molecule
    Chem. Phys. 328, 173 (2006).

  5. L. Wang, H.-D. Meyer, and V. May:
    Femtosecond Laser Pulse Control of Multidimensional Vibrational Dynamics:
    Computational Studies on the Pyrazine Molecule
    J. Chem. Phys. 125, 014102 (2006). (pdf 290kB) (1)

  6. V. May:
    An Open System Dynamics Approach to Polyatomic Molecules:
    Excitons in Chromophore Complexes
    Int. J. Quant. Chem. 106, 3056 (2006).

  7. L. Wang, F. Willig, and V. May:
    Theory of Ultrafast Heterogeneous Electron Transfer
    Molecular Simulation (special issue on electron transfer)
    32, 765 (2006).

  8. D.V. Tsivlin, H.-D. Meyer, and V. May:
    Vibrational Excitons in alpha-Helical Polypeptides:
    Multiexciton Self-Trapping and Related Infrared Transient Absorption
    J. Chem. Phys. 124, 134907 (2006). (pdf 290kB) (1)

  9. E.G. Petrov, V. May, and P. Hänggi:
    Kinetic Rectification of Charge Transmission through a Single Molecule
    Phys. Rev. B 73, 045408 (2006). (pdf 292kB) (2)

  10. V. May and O. Kühn:
    IV-Characteristics of Molecular Wires in the Presence of
    Intramolecular Vibrational Energy Redistribution
    Chem. Phys. Lett. 420, 192 (2006).

  11. L. Wang, F. Willig, and V. May:
    Ultrafast Heterogeneous Electron Transfer Reactions:
    Comparative Theoretical Studies in the Time and Frequency Domain
    J. Chem. Phys. 124, 014712 (2006). (pdf 215kB) (1)

  12. A. Kaiser and V. May:
    Optimal Control Theory with Continously Distributed Target States:
    An Application to NaK
    Chem. Phys. 320, 95 (2006). (pdf 329kB)

  13. B. Brüggemann, T. Pullerits, and V. May:
    Exciton Control in the FMO Complex:
    Influence of Laser Pulse Polarization
    in:"Femtochemistry VII: Fundamental Ultrafast Processes in Chemistry, Physics, and Biology"
    A. W. Castleman Jr., M. L. Kimble (eds.)
    (Elsevier, 2006), p. 518.

2005

  1. A. Kaiser and V. May:
    Optimizing frequency dispersed transient absorption signals:
    A computational study
    Chem. Phys. Lett. 405, 339 (2005).

  2. L. Wang, R. Ernstorfer, F. Willig and V. May:
    Absorption Spectra related to Heterogeneous Electron Transfer Reactions:
    The Perylene-TiO2 System
    J. Phys. Chem. B 109, 9589 (2005). (pdf 120kB)

  3. E.G. Petrov, V. May, and P. Hänggi:
    Kinetic Theory for Electron Transmission through a Molecular Wire
    Chem. Phys. 319, 380 (2005). (pdf 600kB)

2004

  1. B. Brüggemann and V. May:
    Controlling Excitonic Wavepacket Motion in the PS1 Core--Antenna System
    Chem. Phys. Lett. 400, 573 (2004). (pdf 371kB)

  2. L. Wang and V. May:
    Laser Pulse Control of Ultrafast Heterogeneous Electron Transfer:
    A Computational Study
    J. Chem. Phys. 121, 8039 (2004). (pdf 258kB) (1)

  3. B. Brüggemann and V. May:
    Ultrafast Energy Transfer in Molecular Nanostructures:
    Computational Studies on Photosynthetic Antenna Systems
    Humboldt Spektrum (Scientific Journal of the Humboldt-University at Berlin)
    Heft 3-4, 2004, p. 82. (pdf 372kB)

  4. B. Brüggemann, K. Sznee, V. Novoderezhkin, R. van Grondelle and V. May:
    From Structure to Dynamics:
    Modeling Exciton Dynamics in the Photosynthetic Antenna PS1
    J. Phys. Chem. B 108, 13536 (2004). (pdf 399kB)

  5. B. Brüggemann and V. May:
    Ultrafast Laser Pulse Control of Exciton Dynamics:
    A Computational Study on the FMO Complex
    Gerald F. Small Festschrift, J. Phys. Chem. B 108, 10529 (2004). (pdf 185kB)

  6. A. Kaiser and V. May:
    Optimal Control Theory for a Target State Distributed in Time:
    Optimizing the Probe-Pulse Signal of a Pump-Probe-Scheme
    J. Chem. Phys. 121, 2528 (2004). (pdf 533kB) (1)

  7. B. Brüggemann and V. May:
    Exciton Exciton Annihilation Dynamics in Chromophore Complexes
    II. Intensity Dependent Transient Absorption of the LH2 Antenna System
    J. Chem. Phys. 120, 2325 (2004). (pdf 213kB) (1)

  8. V. May and O. Kühn:
    Charge and Energy Transfer Dynamics in Molecular Systems
    A Theoretical Introduction
    second, revised and enlarged edition, Wiley--VCH, Weinheim (2004).

2003

  1. E. G. Petrov, V. May, and P. Hänggi:
    Spin-Boson Model Description of Electron Transmission through a Molecular Wire:
    The Wire-Length Dependence of the Interelectrode Current
    Special issue ''The Spin-Boson Problem: From Elctron Transfer to Quantum Computing''
    Chem. Phys. 296, 251 (2003).

  2. V. May and B. Brüggemann:
    Exciton Exciton Annihilation Dynamics in Chromophore Complexes
    1. Multiexciton Density Matrix Formulation
    J. Chem. Phys. 118, 746 (2003). (pdf 292kB) (1)

  3. S. Ramakrishna, F. Willig, V. May, and A. Knorr
    Femtosecond Spectroscopy of Heterogeneous Electron Transfer:
    Extraction of Excited State Population Dynamics from Pump--Probe Signals
    J. Phys. Chem. B 107, 607 (2003).

  4. D. Ambrosek, M. Oppel, L. Gonzales, and V. May:
    Theory of Ultrafast Nonresonant Multi-Photon Transitions:
    Basics and Application to CpMn(CO)_3
    Chem. Phys. Lett., 380, 536 (2003).

2002

  1. J. Schütze, B. Brüggemann, Th. Renger, and V. May:
    Theory of Linear Absorption Spectra of Biological
    and Non-Biological Chromophore Complexes
    Chem. Phys.275, 333-354 (2002) (pdf 407K)

  2. S. Ramakrishna, F. Willig, and V. May:
    Bridge Mediated Ultrafast Heterogeneous Electron Transfer
    Chem. Phys. Lett. 351, 242 (2002). (pdf 138K)

  3. T. Mancal, U. Kleinekathöfer and V. May:
    Femtosecond Laser Pulse Control of Electron Transfer
    J. Chem. Phys. 117 636 (2002). (pdf 684K)

  4. V. May and B. Brüggemann:
    Microscopic Theory of Exciton Annihilation:
    Application to the LH2 Antenna System
    in "Femtochemistry and Femtobiology", A. Douhal, J. Santamaria (eds.)
    (World Scientific, Singapore, 2002)

  5. T. Mancal and V. May:
    Optimal Control Theory of Molecular Dynamics:
    A Comparative Approach to Characterize the Complexity of the Control Task
    in "Femtochemistry and Femtobiology", A. Douhal, J. Santamaria (eds.)
    (World Scientific, Singapore, 2002)

  6. T. Mancal and V. May:
    Interrelation between Optimal Control Theory of Molecular Dynamics
    and Femtosecond Pulse Shaping Techniques:
    A Way to Characterize the Complexity of the Control Task
    Chem. Phys. Lett. 362, 407 (2002)

  7. V. May:
    Electron Transfer through a Molecular Wire:
    Consideration of Electron-Vibrational Couplings within the Liouville Space Pathway Technique
    Phys. Rev. B, 66, 245411 (2002). (pdf 750k)

2001

  1. T. Mancal and V. May:
    Interplay of Non-Markovian Relaxation and Ultrafast Optical State Preparation in Molecular Systems:
    The Laguerre Polynomial Method
    J. Chem. Phys. 114 1510 (2001). (pdf 210K)

  2. T. Mancal and V. May:
    Non-Markovian Dissipation of Molecular Vibrational Energy via Multi-Quantum Processes
    Chem. Phys. Lett., 334 ,179 (2001).

  3. T. Mancal and V. May:
    Laser Pulse Control of Ultrafast Electron Transfer Reactions
    Euro. Phys. J. D, 14 , 173 (2001). (pdf 2819K)

  4. T. Mancal and V. May:
    Retardation Effects in the Dynamics of Open Molecular Systems
    Chem. Phys. 268, 201 (2001), special issue Quantum Dynamics of Open Systems . (pdf 706K)

  5. S. Ramakrishna, F. Willig, and V. May:
    Theory of ultrafast photoinduced heterogeneous electron transfer:
    Decay of Vibronic Coherences into a Finite Electron-Vibronic Quasicontinuum
    J. Chem. Phys. 115 , 2743 (2001). (pdf 347K)

  6. J. Weiß, V. May, V. Farztdinov, and N. P. Ernsting:
    Frequency and Time Domain Analysis of Excited State Intramolecular Proton Transfer.
    Double Proton Transfer in 2,5-bis(2-benzoxazolyl)-hydroquinone ?
    Chem. Phys. Lett. 346, 503 (2001). (pdf 201K)

  7. B. Brüggemann, J. L. Herek, V. Sundström, T. Pullerits and V. May:
    Microscopic Theory of Exciton Annihilation:
    Application to the LH2 Antenna System
    J. Phys. Chem. B, 105 11391.(2001) (pdf 313K)

2000:

  1. T. Mancal and V. May:
    Non--Markovian Relaxation in an Open Quantum System:
    Polynomial Approach to the Solution of the Quantum Master Equation
    Euro. Phys. J. B. 18, 633 (2000).

  2. S. Ramakrishna, F. Willig and V. May:
    Photoinduced Ultrafast Electron Injection from a Surface Attached Molecule:
    Control of Electronic and Vibronic Distributions via Vibrational Wave Packets
    Phys. Rev. B. 62 R16330 (2000). (pdf 1544K)

Other Publications:

New Publications
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Publications 1996-1999
Publications 1979-1995

(1) Copyright (2003-2006) American Institute of Physics.
This article may be downloaded for personal use only.
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(2) Copyright (2003-2006) by the American Physical Society.