Welcome to the Computational Condensed Matter and Materials Physics Research Group, a subunit within the Department of Physics at the Indian Institute of Technology Ropar, located in the vibrant state of Punjab, India.

Our research ethos revolves around advancing and applying first principles computational modelling methods, including Density Functional Theory (DFT)-based atomistic simulations, many-body perturbation theory (MBPT), and molecular dynamics. We strongly believe that following the principles of Quantum Mechanics allows us to understand the physical properties of materials without needing empirical assumptions, relying solely on chemical and structural information as input parameters. With unwavering dedication, we lead the way in designing materials tailored specifically for energy applications. Our efforts go beyond mere exploration; we delve deep into the realm of materials for energy conversion and storage, exploring the intricacies of magnetism in quantum materials using sophisticated electronic structure and atomic-scale modelling techniques.

Our expertise spans a broad spectrum of first principles calculations, encompassing structural, electronic, transport, and optical properties of emerging functional materials and heterostructures. In our pursuit of knowledge, we integrate first principles methodologies with analytical modelling and data science techniques. Our objective is twofold: to elucidate materials design principles and expedite the discovery process by fostering new physical and chemical insights. Our collective mission is ambitious yet clear: to push existing materials to new heights and discover ground-breaking candidates capable of revolutionizing energy technologies.

Join us as we embark on an exhilarating journey towards uncovering the next generation of materials that will shape the future of energy technologies.

News and Updates

• HIGHLIGHT (August 2025): Newly minted HPC Cluster SINDHU got commissioned in the group.

• HIGHLIGHT (April 2025): IIT Ropar Secures ₹100 Cr PAIR Funding from ANRF for DREAMS Consortium: IIT Ropar has recently been awarded the PAIR (Partnerships for Advanced and Inclusive Research) funding, worth approximately ₹100 crore, by the ANRF, India. The grant supports the institute's consortium project DREAMS, which includes seven partner universities. Dr. Shukla led the initiative as the nodal officer, playing a pivotal role in drafting the proposal and presenting it before the APEX committee.

• HIGHLIGHT (Dec 2024): NSF-MeitY Joint Proposal Approved with ₹5 Crore Funding: Our joint research proposal under the NSF-MeitY initiative, in collaboration with the University of Minnesota (NSF-funded), IIT Delhi, and IIT Ropar, has been approved with a funding of ₹5 crore. The project will be carried out by teams at IIT Ropar, IIT Delhi, and the University of Minnesota, focusing on the computational and experimental exploration of layered magnetic and topological materials for spintronic device applications. Dr. Vivekanand Shukla is serving as a Co-PI on this project and CMP group, will lead the efforts in computational simulation and modeling.

• July 2025: Himanshu Tripathi joined the group as doctoral candidate. Group is looking forward to having fruitful research outcome and transfer of knowledge.

• May 2025: Pravin and Rishabh submitted their Master's Thesis on the research projects focused on catalysis, battery application and vdW heterostructure, respectively, with the group.

• April 2025: Dr. Shukla led the IIT Ropar Team (as a nodal officer) for ₹100 Cr PAIR Funding from ANRF for DREAMS Consortium

• March 2025: CMP group presented two posters in PHYCON (IIT Ropar).

• Feb 2025: Dr. Ashish Sharma joined the group as a Postdoctoral Fellow.

• Our recent collaborative work CMP with Chemistry department IIT Ropar published in ACS flagship journal ACS Energy letter Link to the article. 

• Dec 2024: NSF-MeitY Joint Proposal Approved with ₹5 Crore Funding:

• August 2024: Dharmender joined the group as doctoral candidate under joint degree program between IIT Mandi and IIT Ropar. He will be working on First principal simulations and method development for energy materials.

• July 2024: Abhisek Kumar joined the group as doctoral candidate. Group is looking forward to having fruitful research outcome and transfer of knowledge.  

• July 2024: CMP Group's Manuscript Accepted in ACS Applied Electronic Materials.

• July 2024: Vikas Kumar recently joined our group as Junior research Fellow. He will be working in optoelectronic properties in layered hybrid perovskites. 

• June 2024: CMP Group's Manuscript Accepted in Physical Review Materials.

CMP Group is proud to announce that our manuscript has been accepted for publication in Physical Review Materials. This marks our first published work in the area of magnetism.

• May 2024: Ranveer Desai, a BS Physics student from IISER Bhopal, joined the group for a summer internship.

• May 2024: Janamejaya Mehar, an M.Sc. Physics student from NIT Rourkela, joined the group for a summer internship.

• June 2023: Dr. Vivekanand Shukla joined the Department of Physics at IIT Ropar.