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Dr Bora Karasulu


  • November 2020 - Present: Senior Research Fellow at the University of Warwick, Chemistry Department, United Kingdom
  • February-November 2020: Senior Materials Scientist at Arrival Ltd. / Happy Electron Ltd., London, United Kingdom
  • 2017-2020: PDRA at the University of Cambridge, Dept. of Physics, United Kingdom
  • 2015-2017: PDRA at Eindhoven University of Technology, Dept. of Applied Physics, Netherlands
  • 2010-2014: PhD in Theoretical and Computational Chemistry, Max-Planck-Institute for Coal Research and Universität Düsseldorf, Germany
  • 2008-2010: MSc in Computational Sciences and Engineering, Koc University, Turkey
  • 2004-2008: BSc in Chemistry, Koc University, Turkey


I attended Koc University (Istanbul, Turkey) for my undergraduate education. I obtained my BSc degree in Chemistry and MSc. degree in Computational Sciences (biochemistry). Afterwards, I did my PhD in computational/theoretical chemistry at the Max-Planck-Institute for Coal Research in the group of Prof. Walter Thiel (Muelheim/Ruhr, Germany). My PhD thesis addressed a broad range of ground and excited-state, structural and dynamic properties of isolated flavin analogues as well as flavoproteins that regulate various biological processes. In particular, I elucidated the mechanisms of pertinent biocatalytic reactions (catalysed by flavoproteins) at a molecular level using (Gaussian-orbitals-based) quantum chemistry methods along with the combined quantum mechanics/molecular mechanics (QM/MM).

After doctoral studies, I have changed my research field from biochemistry to solid-state chemistry and worked as a PDRA in the PMP group of Eindhoven University of Technology (TU/e) (Netherlands, 2014-2016, working with Dr. Ageeth A. Bol). My role at the experiment-oriented PMP group was to perform ab initio (plane-wave DFT) modelling of the surface chemistry underpinning the atomic layer deposition (ALD) of different metals and metal oxides on diverse 2D (e.g. graphene) and 3D (e.g. SiO2, ZnO, Al2O3, etc.) substrates. My aim was to provide fundamental atomistic understanding, used by experimentalists to improve the wafer-scale graphene-metal (oxide) integration, which is key for enabling graphene-based transistors, catalysts and other applications.

In the TCM group at the University of Cambridge, working in the modelling of next-generation solid-state lithium-ion batteries (SSLBs) project under supervision of Dr. Andrew J. Morris. My research activities revolved around the prediction of novel solid Li-ion electrolytes to replace the conventional organic solutions with known potential health, safety and stability issues, using first-principles DFT methods along with the stochastic structure prediction techniques (e.g., AIRSS).

Before joining Warwick Chemistry, I spent 9 months at the Arrival/Happy Electron Ltd. working on the molecular-level modelling of supercapacitor materials for energy storage applications in electric vehicles.

Groups at Warwick

I am a member of the following research groups at Warwick:


  • Member of the
    • EPSRC Peer-Review College
    • Royal Society of Chemistry (MRSC)
    • Science and Technology Facilities Council (STFC) Batteries Network
    • Materials Research Society (MRS)
    • German Physical Society (DPG)
    • American Physical Society (APS)
    • HERALD COST action for ALD related research