CURRENT PhD Scholars

Research Scholar  (SRF), Joined the group in August 2020
Research Interests: Multi-State Reactivity, Wave Function Theory

M.Sc. - IIT Delhi (2018-2020)
B.Sc. - Hansraj College, University of Delhi (2015-2018)

Publications: 

• ChemComm (2021) (Chosen as Front Cover Article)

• Nanoscale (2022)

• ACS Catalysis (2023)

• Molecular Catalysis (2023)

• ACS Catalysis (2024)

• Next Materials (2024)

• ACS Catalysis (2024)

• J. Phys. Chem. A (2024) (Chosen as Front Cover Article)

• Nanoscale (2024) 

• ChemNanoMat (2024)

• J. of Catalysis (2024)

• Angew. Chem. Int. Ed (2025) (Chosen as HOT article)

• ACS Catalysis (2025)

Achievements:

• Designed the cover art that was featured as the Front-Cover Image of the ChemComm (RSC) Issue.(2021)

• Won Best Poster Presentation award at Theoretical Chemistry Symposium 2021.(2021)

• Won 2nd Prize at INYAS International Sci-Art Image Competition (2022)

• Won the best Oral presentation award in Chem-Day 2022 (March) organized by Department of Chemistry IIT Roorkee. (2022)

• Won the best poster award in Chem-Day 2022 (November), organized by the Department of Chemistry IIT Roorkee. (2022)

• Won the best poster award in Chem-Day 2023 (December), organized by the Department of Chemistry IIT Roorkee. (2023)

• Designed the cover art that was featured as the Front-Cover Image of Journal of Physical Chemistry A (ACS) Issue.(2024)

• Awardee of ANRF/SERB international travel support 2024.(2024)

• Awardee of IIT Roorkee Travel Grant for Good International Conferences 2024. (2024)

• Best Elevator Pitch on Research Scholar Day of Center for Sustainable Energy  2025 at IIT Roorkee(2025)

Conferences and Workshops:

• Attended the India International Science Festival 2020 (IISF 2020) virtual event.

• Participated in the Theoretical Chemistry Symposium 2021.

• Participated in the Poster Presentation the International conference "Enabling towards sustainable future" (08/09/2022 to 10/09/2022) organized by the Chemical engineering department, IIT Roorkee.

• Participated and gave poster presentation at the Theoretical Chemistry Symposium (TCS) 7-10 December 2023 held in IIT Madras

• Participated and gave oral presentation at the ACS Spring 2024 (17-21 March 2024 organized by ACS).

• Participated and gave a poster presentation at the 20th International Conference on Density Functional Theory and its Applications (DFT 2024) which took place in ENSCP, France from 25 August to 30 August 2024

• Participated and gave a poster presentation at the 60th Symposium on Theoretical Chemistry (STC 2024) held in TU Braunschweig, Germany from 2 September to 6 September 2024

• Participated and gave a poster presentation at the International Conference on Carbon Capture and Utilization (ICCCU-24) at JNCASR Bengaluru from 9 December to 13 December 2024

Research Scholar (SRF), Joined the group in August 2021
Research Interests: Molecular Dynamics, Batteries

M.Sc. - NIT Hamirpur (2018-2020)
B.Sc. - University of Lucknow, Lucknow (2015-2018)

Achievements:

• Won Best Oral Presentation award in Chem-Day 2023 (November), organized by the Department of Chemistry IIT Roorkee.

• Won Best Poster Presentation award in Chem-Day 2024 (November), organized by the Department of Chemistry IIT Roorkee.

Publication:

• Batteries & Supercaps (2023)

• The Journal of Physical Chemistry B (2025)

Conferences and Workshops:

• Presented poster at Theoretical Chemistry Symposium (TCS)-2023, held at IIT Madras (7-10 December 2023).

• Presented poster at Young Scientists Conference (YSC)-2023, which was a part of 9th India International Science Festival 2023, held at Faridabad (17-20 January 2024).

• Presented poster at International Chemical Engineering Conference on Energy, Environment and Sustainability (ICECEES)-2024, held at Department of Chemical Engineering, IIT Roorkee (15-17 February 2024).

• Presented poster at Young Scientists Conclave (YSC)-2024, which was a part of the 10th India International Science Festival 2024, held at IIT Guwahati (30 November-3 December 2024).

Research Scholar (PMRF), Joined the group in July 2022
Research Interests: Electronic Structure Theory, ab-initio Molecular Dynamics 

M.Sc. - IIT Roorkee (2020-2022)
B.Sc. - St. Stephen's College, University of Delhi (2017-2020)

Publications: 

• Phys. Chem. Chem. Phys. (2022)

• Batteries & Supercaps (2023)

Conferences and Workshops:

• Participated in the Poster Presentation at the International conference "Enabling towards sustainable future" (08/09/2022 to 10/09/2022) organized by the Chemical engineering department, IIT Roorkee.

• Participated in the Poster Presentation at Chem-Day 2022 (November) organized by Chemistry Department , IIT Roorkee.

Research Scholar (JRF), Joined the group in July 2024

Research Interests: Single Atom Catalysis 

M.Sc. - NIT Rourkela (2021-2023)
B.Sc. - Swami Shraddhanand College, University of Delhi (2018-2021)

Publication:

• Inorganic Chemistry(2025)

Research Scholar (JRF), Joined the group in July 2024

Research Interests: Homogenous Catalyst for cabon dioxide reduction

M.Sc. - Netaji Subhas University of Technology (2022-2024)
B.Sc. -Deen Dayal Upadhyaya College, University of Delhi (2019-2022)

Research Scholar (JRF), Joined the group in July 2024

Research Interests: Machine Learning in Catalysis 

Integrated M.Sc. - IIT Roorkee (2019 - 2024)

Publications: 

• Nanoscale (2024) 

Research Scholar (JRF), Joined the group in Jan 2025

B.Sc. - University of Allahabad (2019-2022)

M.Sc. - IIT Bhilai (2022 - 2024)