CURRENT PhD Scholars

Nikunj Kumar

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:

Achievements:

Designed the cover art that was featured as Front-Cover Image of the ChemComm (RSC) Issue.
Won Best Poster Presentation award at Theoretical Chemistry Symposium 2021.
Won 2nd Prize at INYAS International Sci-Art Image Competition (2022)
Won best Oral presentation award in Chem-Day 2022 (March) organized by Department of Chemistry IIT Roorkee. (2022)
Won best poster award in Chem-Day 2022 (November) organized by Department of Chemistry IIT Roorkee. (2022)
Won best poster award in Chem-Day 2023 (December) organized by Department of Chemistry IIT Roorkee. (2023)
Designed the cover art that was featured as Front-Cover Image of the The journal of Physical chemistry A (ACS) Issue.

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 poster presentation at 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 poster presentation at 60th Symposium on Theoretical Chemistry (STC 2024) held in TU Braunschweig, Germany from 2 September to 6 septembert 2024
Participated and gave poster presentation at International Conference on Carbon Capture and Utilization (ICCCU-24) (ICCCU-24) at JNCASR Bengaluru from 9 December to 13 December 2024

Research Scholar (SRF), Joined the group in August 2020
Research Interests: Computational Homogeneous Catalysis

MSc. - D.S.B Campus, Kumaun University, Nainital (2016-2018)
B.Sc. - Kumaun University, Nainital (2013-2016)

Publication:

Achievements:

Won Best Poster Presentation award at Indian Academy of Sciences Meeting and Lecture Workshop. (2023)

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 in the Poster Presentation at Chem-Day 2022 organized by Chemistry Department , IIT Roorkee.
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 (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:

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 (JRF), 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.

Research Scholar (JRF), 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.