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)