INST Faculty Directory
Dr. Ehesan Ali
Associate Professor (Scientist-E )
  • Ph.D.    Indian Institute of Technology-Bombay (2002-2007)
  • M. Sc.  Banaras Hindu University (2000-2002)
  • B. Sc.  Suri Vidyasagar College (University of Burdwan, 1996-1999
  • Positions Held/Research Experience
  • Associate Professor (Scientist-E): Institute of Nano Science and Technology, Mohali, India. (1st July 2015, onwards)
    Research Associate: University College London, London, UK. (Jan 2015- June 2015)
    Researcher (senior): Uppsala University, Uppsala, Sweden. (June 2013 – Dec 2014)
    Visiting Researcher:  Tata Institute of Fundamental Research, Mumbai, India (May, 2013 – June, 2013)
    Research Associate:  Ruhr-University, Bochum, Germany (Sep. 2011- Dec. 2012)

    Postdoctoral Fellow (Alexander von Humboldt fellowship): Ruhr-University, Bochum, Germany (Sep. 2009- Dec. 2011)

    Postdoctoral Fellow: Uppsala University, Uppsala, Sweden. (June 2007 – Aug 2009)

  • Research interests
  • Ab initio investigations of molecular magnetism, interface Nano-magnetism, molecular spintronics, magneto-structural dynamics of bimolecular systems, development of density functional theory (DFT), broken-symmetry DFT, spin constrained DFT, theoretical spectroscopy, ab initio molecular dynamics: Car-Parinello and Born-Oppenheimer molecular dynamics, classical MD, electron and spin transfer dynamics in metallo-proteins, solar cells, and catalytic chemical reactions.
  • Selected Publications
    1. Ali, Md. E.; Oppeeneer, P.M. “Unraveling the Electronic Structure, Spin States, Optical and Vibrational Spectra of Malaria Pigment” Chem. Eur. J.  2015, 21, 8544.
    2. Ali, Md. E. Staemmler, V. Marx. D, “Magnetostructural dynamics of Rieske versus ferredoxin iron–sulfur cofactors” Phys. Chem. Chem. Phys.  2015, 17, 6289.
    3. Dreiser, J.; Wäckerlin, C.; Ali, Md. E.; Piamonteze, C.; Donati, F.; Singha, A.; Pedersen, K. S.; Rusponi, K.; Bendix, J.; Oppeneer, P. M.; Jung, T. A.; Brune, H.; “Exchange Interaction of Strongly Anisotropic Tripodal Erbium Single-Ion Magnets with Metallic SurfacesACS Nano, 2014, 5, 4662.
    4. Ali, Md. E.; Nair, N. N.; Staemmler, V.; Marx, D. Constrained spin-density dynamics of iron-sulfur complex: ferredoxin cofactor, J. Chem. Phys. 2012, 136, 224101.
    5. Ali, Md. E.; Sanyal, B.; Oppeneer, P. M., “Tuning the magnetic interaction between manganese porphyrins and ferromagnetic Co substrate through dedicated control of the adsorption” J. Phys. Chem. C 2009, 113, 14381.



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    Institute of Nano Science & Technology
    Habitat Centre, Sector - 64, Phase X, Mohali