PhD Scholars
Parveen Rawal
Research Scholar (SRF), Joined the group in July 2019
Research Interests: Electronic Structural Calculations, Metal-free Chemistry
M.Sc. - IIT Roorkee (2016-2018)
B.Sc. - Kirori Mal College, University of Delhi (2013-2016)
Publications:
New J. Chem. (2020)
Inorg. Chem. Front. (2021) (Chosen as Cover Article)
Chem. Asian J. (2022)
Dalton Trans. (2022)
Organic & Biomolecular Chemistry (2022)
ChemistrySelect (2022)
ChemCatChem (2023)
Chem. Eur. J. (2024)
Chem. Eur. J. (2024)
Chem. Eur. J. (2024) (Chosen as Cover Article)
Achievements:
Designed the cover art that was featured as Back-Cover Image of the Inorg. Chem. Front (RSC) Issue.
Won 1st Prize at INYAS International Sci-Art Image Competition (2022)
Won best presentation award in Chem-Day 2021 organized by Department of Chemistry IIT Roorkee. (2021)
Won best presentation award in Chem-Day 2022 (November) organized by Department of Chemistry IIT Roorkee. (2022)
Conferences and Workshops:
Attended the DST & ACS Workshop in October 2020.
Participated in the India International Science Festival 2020 (IISF 2020) virtual event.
Attended the Computational Chemistry Webinar Series (08/07/2020 to 12/08/2020) organized by the Zastra Innovation Private Limited.
Participated in the Theoretical Chemistry Symposium 2021.
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.
Attended the Chemical Concepts from Theory and Computation Conference 2023 held on 11/12/2023 in Lyon, France organized by CECAM
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:
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)
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.
Shivangi Gupta
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:
ChemistrySelect (2022)
Chemistry - A European Journal (2023) (Chosen as HOT article)
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.
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 Department of Chemistry IIT Roorkee.
Publication:
Batteries & Supercaps (2023)
Conferences and Workshops:
Attended Theoretical Chemistry Symposium 2021.
Akhilesh Sharma
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:
New J. Chem., 2023 (2023)
European J. Inorganic Chemistry (2023)
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.
Anson Thomas
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:
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.
Sonu KUMAR
Research Scholar (JRF), Joined the group in July 2024
M.Sc. - NIT Rourkela (2021-2023)
B.Sc. - Swami Shraddhanand College, University of Delhi (2018-2021)
Nitish KUMAR SINGH
Research Scholar (JRF), Joined the group in July 2024
M.Sc. - Netaji Subhas University of Technology (2022-2024)
B.Sc. -Deen Dayal Upadhyaya College, University of Delhi (2019-2022)
Ashwani Singh
Research Scholar (JRF), Joined the group in July 2024
M.Sc. - Indian Institute of Engineering Science and Technology, Shibpur (2021-2023)
B.Sc. - Ewing Christian College, University of Allahabad (2018-2021)
Saurabh Singh NEGI
Research Scholar (JRF), Joined the group in July 2024
Integrated M.Sc. - IIT Roorkee (2019 - 2024)