ThSim group congratulates Dr. Nikhilesh Maity for successfully defending his thesis on Mar 17, 2023; and acquiring...
Materials Theory and Simulation Group
Materials Research Center
Indian Institute of Science, Bangalore
PROF. ABHISHEK K. SINGH
GROUP LEADER
Materials Theory and Simulation Lab, MRC, IISc Email: abhishek@iisc.ac.in
At ThSim, we dabble in all
- Quantum ab-initio theory for real materials
- Machine Learning and material database generation
- MXene: non van-der Waals two-dimensional material
- Machine learning and image processing for structural materials
- Computational Catalyst Material Design for applications in clean energy
- Topological phase of insulators and metals
- Theory of defects, impurities, doping and diffusion in bulk and reduced dimensional systems
- Thermal and electrical transport
- Quasiparticle and optical excitations
- Mechanical, structural, electronic, and magnetic, properties of nanostructures including graphene, nanowires, nanotubes, and nanoclusters
In the News
Highlights
Latest from MRC ThSim
Dr. Sakshi joins Reliance Industries
ThSim group congratulates Dr. Sakshi Agarwal for successfully defending her thesis on Mar 15, 2023 and joining...
Dr. Ritesh joins University of Chicago
ThSim group congratulates Dr. Ritesh Kumar for successfully defending his PhD thesis and acquiring a Postdoctoral position at Pritzker...
Best Oral Presentation at EESTER 2023
ThSim group congratulates Sucheta Swetlana for receiving the best oral presentation award in EESTER2023, organized by SRM...
Best Poster Presentation Award in IUMRS-ICA 2022
ThSim group congratulates Manoj Dey for receiving the ACS Publication (Langmuir) best poster presentation award in IUMRS-ICA...
PMRF Recipient Shibu Meher
ThSim group congratulates Shibu Meher for receiving the prestigious Prime Minister’s Research Fellowship.
Opportunity!
Postdoctoral position available on the application of AI/ML approach on structural safety. (02 Aug 2023)