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Arend Dijkstra

University Academic Fellow
Member of the Computational Chemistry and Chemical Physics group

Contact details

Room: 2.89b
Tel: +44 (0)113 3439407
Email: A.G.Dijkstra@leeds.ac.uk

Keywords

Photoactive molecular complexes
Open quantum system approach to ultrafast dynamics
Optical spectroscopy and ultrafast diffraction



Photograph of Arend Dijkstra

Research interests

My research interests are focused on understanding ultrafast electronic and nuclear dynamics in large molecular complexes after photoexcitation. In these systems, the light can be essential for the function, such as in natural or artificial photosynthesis, or detrimental, as in UV light absorped by DNA. Light can also be used as a probe or to trigger desired behaviour, for example in a photo switch.

Because we are interested in the theoretical description of large systems, an exact quantum approach is often not possible. Therefore, we divide the system into a part that is described exactly, and a part that is treated as a bath. The challenge is to properly model the effects of decoherence and dephasing on the quantum dynamics. We aim to connect directly to experimental data obtained from optical spectroscopy and ultrafast X-ray and electron diffraction. We have also explored applications of our approach to the theory of non-Markovian quantum dynamics.

Publications

Dijkstra AG, Prokhorenko VI Simulation of photo-excited adenine in water with a hierarchy of equations of motion approach Journal of Chemical Physics 147 -, 2017
DOI:10.1063/1.4997433
View abstract

Prokhorenko VI, Picchiotti A, Pola M, Dijkstra AG, Miller RJD New Insights into the Photophysics of DNA Nucleobases Journal of Physical Chemistry Letters 7 4445-4450, 2016
DOI:10.1021/acs.jpclett.6b02085
View abstract

Dijkstra AG, Duan HG, Knoester J, Nelson KA, Cao J How two-dimensional brick layer J-aggregates differ from linear ones: Excitonic properties and line broadening mechanisms Journal of Chemical Physics 144 -, 2016
DOI:10.1063/1.4944980
View abstract

Iles-Smith J, Dijkstra AG, Lambert N, Nazir A Energy transfer in structured and unstructured environments: Master equations beyond the Born-Markov approximations The Journal of Chemical Physics 144 044110-044110, 2016
DOI:10.1063/1.4940218

Duan HG, Dijkstra AG, Nalbach P, Thorwart M Efficient tool to calculate two-dimensional optical spectra for photoactive molecular complexes Physical Review E - Statistical, Nonlinear, and Soft Matter Physics 92 -, 2015
DOI:10.1103/PhysRevE.92.042708
View abstract

Dijkstra AG, Tanimura Y Linear and third- and fifth-order nonlinear spectroscopies of a charge transfer system coupled to an underdamped vibration Journal of Chemical Physics 142 -, 2015
DOI:10.1063/1.4917025
View abstract

Zanni M, Jemmis ED, Aravamudhan S, Pallipurath A, Arunan E, Schnedermann C, Mishra AK, Warren M, Hirst JD, John F, Pal R, Helliwell JR, Moirangthem K, Chakraborty S, Dijkstra AG, Roy Chowdhury P, Ghiggino K, Miller RJD, Meech S, Medhi H, Hariharan M, Ariese F, Edwards A, Mallia AR, Umapathy S, Meedom Nielsen M, Hunt N, Tian ZY, Skelton J, Sankar G, Goswami D Time and Space resolved Methods: General discussion Faraday Discussions 177 263-292, 2015
DOI:10.1039/c5fd90017d

Zanni M, Jemmis ED, Aravamudhan S, Arunan E, Hunt N, Mukhopadhyay S, Shepherd HJ, Keshavamurthy S, Dijkstra AG, Ashfold M, Prabal Goswami H, Nenov A, Medhi H, Ghiggino K, Moirangthem K, Miller RJD, Goswami D, Umapathy S, Helliwell JR, Hirst JD, Meech S, Mukamel S, Bagchi B, Buron-Le Cointe M Local and Global Dynamics: General discussion Faraday Discussions 177 381-403, 2015
DOI:10.1039/C5FD90018B

Dijkstra AG, Wang C, Cao J, Fleming GR Coherent exciton dynamics in the presence of underdamped vibrations Journal of Physical Chemistry Letters 6 627-632, 2015
DOI:10.1021/jz502701u
View abstract

Van Der Vegte CP, Dijkstra AG, Knoester J, Jansen TLC Calculating two-dimensional spectra with the mixed quantum-classical ehrenfest method Journal of Physical Chemistry A 117 5970-5980, 2013
DOI:10.1021/jp311668r
View abstract

Dijkstra AG, Tanimura Y Non-Markovianity: Initial correlations and nonlinear optical measurements Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 370 3658-3671, 2012
DOI:10.1098/rsta.2011.0203
View abstract

Dijkstra AG, Tanimura Y The role of the environment time scale in light-harvesting efficiency and coherent oscillations New Journal of Physics 14 -, 2012
DOI:10.1088/1367-2630/14/7/073027
View abstract

Dijkstra AG, Tanimura Y System bath correlations and the nonlinear response of qubits Journal of the Physical Society of Japan 81 -, 2012
DOI:10.1143/JPSJ.81.063301
View abstract

Kuik M, Koster LJA, Dijkstra AG, Wetzelaer GAH, Blom PWM Non-radiative recombination losses in polymer light-emitting diodes Organic Electronics: physics, materials, applications 13 969-974, 2012
DOI:10.1016/j.orgel.2012.02.009
View abstract

Jansen TLC, Dijkstra AG, Watson TM, Hirst JD, Knoester J Erratum: Modeling the amide i bands of small peptides (The Journal of Chemical Physics (2006) 125 (044312)) Journal of Chemical Physics 136 -, 2012
DOI:10.1063/1.4722584

Dijkstra AG, Jansen TLC, Knoester J Modeling the vibrational dynamics and nonlinear infrared spectra of coupled amide i and II modes in peptides Journal of Physical Chemistry B 115 5392-5401, 2011
DOI:10.1021/jp109431a
View abstract

Dijkstra AG, Jansen TLC, Knoester J Two-dimensional spectroscopy of extended molecular systems: Applications to energy transport and relaxation in anα-helix Journal of Physical Chemistry A 114 7315-7320, 2010
DOI:10.1021/jp9111124
View abstract

Dijkstra AG, Tanimura Y Non-Markovian entanglement dynamics in the presence of system-bath coherence Physical Review Letters 104 -, 2010
DOI:10.1103/PhysRevLett.104.250401
View abstract

Dijkstra AG, Tanimura Y Correlated fluctuations in the exciton dynamics and spectroscopy of DNA New Journal of Physics 12 -, 2010
DOI:10.1088/1367-2630/12/5/055005
View abstract

Bloem R, Dijkstra AG, Jansen TLC, Knoester J Simulation of vibrational energy transfer in two-dimensional infrared spectroscopy of amide i and amide II modes in solution Journal of Chemical Physics 129 -, 2008
DOI:10.1063/1.2961020
View abstract

Dijkstra AG, La Cour Jansen T, Knoester J Localization and coherent dynamics of excitons in the two-dimensional optical spectrum of molecular J -aggregates Journal of Chemical Physics 128 -, 2008
DOI:10.1063/1.2897753
View abstract

Dijkstra AG, La Cour Jansen T, Bloem R, Knoester J Vibrational relaxation in simulated two-dimensional infrared spectra of two amide modes in solution Journal of Chemical Physics 127 -, 2007
DOI:10.1063/1.2786455
View abstract

Heijs DJ, Dijkstra AG, Knoester J Ultrafast pump-probe spectroscopy of linear molecular aggregates: Effects of exciton coherence and thermal dephasing Chemical Physics 341 230-239, 2007
DOI:10.1016/j.chemphys.2007.06.050
View abstract

La Cour Jansen T, Dijkstra AG, Watson TM, Hirst JD, Knoester J Modeling the amide I bands of small peptides Journal of Chemical Physics 125 -, 2006
DOI:10.1063/1.2218516
View abstract

Dijkstra AG, Knoester J Collective oscillations and the linear and two-dimensional infrared spectra of inhomogeneousβ-sheets Journal of Physical Chemistry B 109 9787-9798, 2005
DOI:10.1021/jp044141p
View abstract