AKS

Group Leader

Prof. Abhishek K. Singh

Professor,

Materials Theory and Simulation Lab
Materials Research Centre,
Indian Institute of Science Bangalore, 560012
Email: abhishek@iisc.ac.in

What's new

 

Hosting more than 23800 MXenes

 

We are Materials Theory and Simulation Group, and are broadly interested in:

  • Quantum ab-initio theory for real  materials
  • Machine Learning and material database generation
  • Topological phase of insulators and metals
  • MXene: non van der Waal two-dimensional material
  • Physics and chemistry of hydrogen interactions with materials
  • Hydrogen generation and storage
  • Mechanical, structural, electronic, and magnetic, properties of nanostructures including graphene, nanowires, nanotubes, and nanoclusters
  • Theory of  defects, impurities, doping and diffusion in bulk and reduced dimensional systems
  • Thermal and electrical transport
  • Quasiparticle and optical excitations

Recent news

  • ThSim group congratulates Sucheta Swetlana for receiving the best oral presentation award in EESTER2023, organized by SRM IST KTR and IITMadras (4-12 Jan 2023).
  • ThSim group congratulates Manoj Dey for receiving the ACS Publication (Langmuir) best poster presentation award in IUMRS-ICA 2022, organized by IITJ and MRSI (19-23 Dec 2022).
  • ThSim group congratulates Shibu Meher for receiving the Prime Minister’s Research Fellowship.
  • ThSim group congratulates Arko Parui for receiving the best poster presentation award in ChemCatCon 2.0, organized by Heterogeneous Catalysis Group, IIT Gandhinagar (14-16 May, 2022).
  • ThSim group congratulates Sakshi Agarwal for receiving the best oral presentation award in ChemCatCon 2.0, organized by Heterogeneous Catalysis Group, IIT Gandhinagar (14-16 May, 2022).
  • ThSim group congratulates Dr. Ritesh Kumar for successfully defending his PhD thesis and acquiring a Postdoctoral position at 
    Pritzker School of Molecular Engineering, The University of Chicago, USA.

Opportunities

Postdoctoral position available at MRC, IISc, Bangalore (Adv. Date: Jan 01, 2023)

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