Research Objective:

A challenging position that builds upon my broad theoretical physics background to understand crystalline and amorphous systems using stateā€of-the-art quantum mechanics calculations.

Educational Background:

  • Postdoctoral Researcher, Department of Materials and Engineering, Royal Institute of Technology (KTH), Stockholm, Sweden
  • PhD, Division of Materials Theory, Dept. of Physics and Astronomy Uppsala University, Sweden (Supervisor: Prof. Rajeev Ahuja)

Research Interests:

  • Electronic structure and optical properties
  • Hydrogen Storage (Physisorption, Chemisorption)
  • Hydrogen Production (Photocatalysis)
  • Nanostructures for gas sensing (BN sheet, graphene, graphane, silicane etc.)
  • Structural behaviour of earth core materials at high pressure
  • Electronic properties of carbon based nanostructures.

Computational Packages:

  • Experience in Density Functional Calculations using Quantum Mechanics by means of Vienna Ab-intio Simulation Package (VASP).
  • Experience in using broad spectrum of Swedish supercomputing resources.
  • Experience in Unix/Linux platform.

Talks and Poster Presentation:

  • Workshop on advanced materials for 21st Century: held in Uppsala, Sweden (9–11th September 2010)
  • CCP5 summer school in Molecular simulations, Queen's University Belfast U.K. (July17-26, 2011)
  • NanoTech Conference and Expo 2012, Santa Clara, CA, USA (June 18-21, 2012)
  • International Conference on Advanced Modeling and simulations, held in Rawalpindi, (28-30 November 2011)
  • IFA PhD Student Day, Uppsala University, Uppsala, Sweden


  • Hussain, T., Searles, Debra J., Takahashi, K. Reversible Hydrogen Uptake by BN and BC3 Monolayers Functionalized with Small Fe Clusters: A Route to Effective Energy Storage. J. Phys. Chem. A, 2016, 120 (12), pp 2009–2013
  • Takahashi, K., Hussain, T., Takahashi, L., Baran, Jakub D.  Designing Square Two-Dimensional Gold and Platinum. Cryst. Growth Des., 2016, 16 (3), pp 1746–1750

Contact Tanveer