CURRENT PhD Scholars

Abhiruchi Sharma

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.
Designed the cover art that was featured as the Cover Image of the ChemSusChem (Wiley) journal (2025).
Awardee of ANRF/SERB international travel support 2025

Publications:

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).
Presented a poster at the 61st Symposium on Theoretical Chemistry (STC 2025) held in Berlin, Germany, from 22-26 September 2025.

Research Scholar (PMRF), Joined the group in July 2022

Research Interests: Electronic Structure Theory, Catalysis, DFT

M.Sc. - IIT Mandi (2019-2021)
B.Sc. - Rajdhani College, University of Delhi (2015-2018)

Publication:

Conferences and Workshops:

Attended the International conference "Enabling towards sustainable future" (08/09/2022 to 10/09/2022) organized by the Chemical engineering department, IIT Roorkee.
Attended the Chem-Day 2022 (November) organized by Chemistry Department, IIT Roorkee.
Presented poster at Theoretical Chemistry Symposium (TCS)-2025, held at IIT Bombay (2-5 December 2025).
Presented poster at Modern Trends in Inorganic Chemistry-XXII Conference at Miranda House, University of Delhi

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:

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:

Conferences and Workshops:

Presented poster at Theoretical Chemistry Symposium (TCS)-2025, held at IIT Bombay (2-5 December 2025).

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

Research Interests: DFT and Machine Learning driven catalyst design for carbon dioxide (CO₂) reduction

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

Achievements:

Awarded Murty Trust–sponsored Conference Grant at HiPC 2025
Won best poster presentation award at Theoretical Chemistry Symposium 2025 held at IIT Bombay. (2025)

Conferences and Workshops:

Presented poster at Theoretical Chemistry Symposium (TCS)-2025, held at IIT Bombay (2-5 December 2025).
Presented poster at High Performance Computing Data and Analytics (HIPC)-2025, held at Hyderabad (17-20 December 2025)