ThSim group congratulates Dr. Manoj Dey for successfully defending his thesis on Jan 22, 2024; 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
Best Poster Award at NPC-2024
ThSim group congratulates Ashutosh Srivastava for receiving the best poster presentation award in National Physicists Conclave 2024,...
Best Poster Award at JIWES-2023
ThSim group congratulates Arko Parui and Ashutosh Srivastava for receiving the best poster award sponsored by ACS...
Dr. Nikhil Khatavkar joins Western Digital
ThSim group congratulates Dr. Nikhil Khatavkar for successfully defending his thesis on Nov 6, 2023; and joining...
Dr. Nikhilesh joins University of South Florida
ThSim group congratulates Dr. Nikhilesh Maity for successfully defending his thesis on Mar 17, 2023; and acquiring...
Dr. Sakshi joins Reliance Industries
ThSim group congratulates Dr. Sakshi Agarwal for successfully defending her thesis on Mar 15, 2023 and joining...
Opportunity!
Postdoctoral position available on the application of AI/ML approach on structural safety. (02 Aug 2023)