We are broadly interested in:
- Quantum ab-initio theory for real
- Physics and chemistry of hydrogen interactions with
- Hydrogen generation and storage
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
- Theory of surfaces, interfaces, and edges in nanomaterials
- Thermal and electrical transport
- quasiparticle and optical excitations
- ThSim group congratulates Rafia Ahmad for successfully completeing her PhD and acquiring Postdoctoral position in KAUST, Saudi Arabia.
- ThSim group congratulates Deya Das for acquiring Postdoctoral position in University of Connecticut, USA.
- ThSim group congratulates Dr. Atanu Samanta and Dr. Babu Ram Sharma for acquiring Postdoctoral position in Bar-Ilan University, Isreal, and KIST, Korea respectively.
- ThSim group congratulates Atanu Samanta and Babu Ram Sharma for successfully completing their PhD.
- ThSim group congratulates Avanish Mishra for getting best poster award "Kawazoe Award" at ACCMS TM 2016.
- ThSim group congratulates Dr. Aaditya Manjanath for acquiring Postdoctrol position at Yokohama National University, Japan.
- ThSim group congratulates Dr. Tribhuwan Pandey for acquiring Postdoctrol position in ORNL.
- ThSim group congratulates Sunny Gupta for receiving PhD position in Rice University.
- ThSim group congratulates Dr. Pooja and Dr. Arun for acquiring faculty positions at Amity University Lucknow and KEL University Hubali, respectively.
- ThSim group welcomes all new members of group.
- News article on our recent work on hydrogen storage in Bangalore Mirror
- Abhishek K Singh becomes editorial board member of Scientific Report.
- Ahin received the Shell India Computational Talent Prize (2014).
- Lab talk on Nanotechweb on our recent article
- ThSim group congratulates its first student Swastibrata Bhattacharyya for successfully completing her PhD.
- Deya Das Best Oral Presenter Award Indo-US Workshop on Engineered Electrodes for Electrochemical Energy Storage (April 2014), Chennai.