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)

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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)

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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)

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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)

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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)

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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)

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We have multiple vacancies for GATE, CFTI, CSIR-UGC qualified students. Prospective applicants who are keen on undertaking a PhD in Computational Catalysis and Energy are encouraged to apply. Interested candidates can write to puneet.gupta@cy.iitr.ac.in for further assistant. 

Project 1: Computational Catalysis on Industrially Relevant Chemical Reactions

Project 2: Machine Learning and Catalysis

Project 3: Computational Chemistry on Organometallic Reactions

Project 4: Application of Wave Function Theory on Transition-Metal Catalysed Reactions

Project 5: DFT and Simulations on Battery for Energy Research