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 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.
  • ThSim group congratulates Dr. Ranjan Kumar Barik for successfully completing his PhD and acquiring a Postdoctoral position at
    Department of Physics, University of South Florida, USA.
  • ThSim group congratulates Dr. Madhubanti Mukherjee for successfully completing her PhD and acquiring a Postdoctoral position at School of Materials Science and Engineering at Georgia Tech, USA.
  • ThSim group congratulates Dr. Rinkle Juneja for getting Best Thesis Performance Sudborough Medal (2019-2020).
  • ThSim group congratulates Dr. Akash Singh for successfully completing his PhD and acquiring Postdoctoral position in University of Pennsylvania, USA.
  • ThSim group congratulates Dr. Rinkle Juneja for acquiring Postdoctoral position in Oak Ridge National Laboratory, USA.
Close Menu