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Saurabh
Integrated M.Sc. Student - June 2023 - May 2024.
MSc. thesis title: Computational Modelling and Simulations of Selected Atmospheric Reactions
Research Interests: Machine Learning
Integrated M.Sc. Chemistry (2019-2024), IIT Roorkee
Current Position: Computational Catalysis Center, IIT Roorkee
Monika
MSc. thesis title: Influence of Counter-Anions on the Formation of Linear vs Branched α,β Unsaturated Products in Pd-Catalyzed Alkyne Hydrocarbonylation: A Computational Study
Project Student - Nov 2023 - April 2024.
Research Interests: Homogenous catalysis
M.Sc. - IIT Roorkee (2022-2024)
Hrithik m
Project Student - Nov 2023 - April 2024.
Research Interests: Electronic structure theory, Catalysis
M.Sc. - NIT Calicut (2021-2023)
B.Sc. - Sacred Heart College, Thevara. (Affiliated to Mahatma Gandhi University, Kottayam) (2018-2021)
Current Position: PhD in Spain
Akansha Tondak
MSc. thesis title: Orbital-driven Insights into the reactivity of h-BN towards methane oxidation
Research Interests: Unravelling the chemistry of boron-based compounds with alkanes
M.Sc. - IIT Roorkee (2021-2023) B.Sc. - Sri Venkateswara College (2018-2021), Delhi University
Current Position: FIITJEE, Punjabi Bagh, Delhi
Dev Gupta
MSc. thesis title: Reckoning stationary points in chemical reactions using In-silico-methods
Research Interests: DFT, Catalysis Integrated M.Sc. Chemistry (2018-2023), IIT Roorkee
Current Position: Associate Software Engineer, Blume Global India Private Limited, Bangalore
Anson THoMAS
MSc. thesis title: - In–silico adsorption studies of atoms using planewave DFT
M.Sc. Chemistry - IIT Roorkee (2020-2022)
B.Sc. - St. Stephen's College, University of Delhi (2017-2020)
Current Position: PMRF Scholar at computational catalysis center, IIT Roorkee
Kumar Shashwat
MSc. thesis title: - Examining the reactivity of dioxygen and methane with boron cluster using In-silico-methods
M.Sc. Chemistry - IIT Roorkee (2020-2022)
B.Sc. - Sri Venkateshwara College, University of Delhi
Current Position: Online educator
Tanvi Malhotra
MSc. thesis title: C−H bond activation by diatomic metal oxide cations [MO]+
M.Sc. - IIT Roorkee (2019-2021)
B.Sc. - Panjab University, Chandigarh (2016-2019)
Current Position: IIM, Shillong
Sourabh
MSc. thesis title: Density functional theoretical studies on direct conversion of methane to formaldehyde catalysed by [Al2O3] • +
M.Sc. - IIT Roorkee (2019-2021)
B.Sc. - ARSD College, University of Delhi (2016-2019)
Current Position: Education Associate at QrioctyBox
Nazra
MSc. thesis title: Alkane activation to alcohol using dinuclear Cu2O2 based catalyst through density functional theory
M.Sc. - IIT Roorkee (2019-2021)
B.Sc. - Shaheed Rajguru College of Applied Science For Women, University of Delhi (2016-2019)
Neha
MSc. thesis title: Hydrogenation of alkynes to alkenes using [Cp * Ru] based Catalyst - A Computational Study
M.Tech. - IIT Roorkee (2018-2020)
M.Sc. - University of Kota (2016-2018)
B.Sc. - University of Kota (2013-2016)
Sahil Gahlawat
MSc. thesis title: Computational screening of silicon containing solvents for lithium-ion batteries based on their oxidation potentials
M.Sc. - IIT Roorkee (2018-2020)
B.Sc. - Motilal Nehru College, Delhi University (2015-2018)
Current Position: PhD in Computational Chemistry, The Arctic University of Norway
Kashish Madan
MSc. thesis title: Prediction of C-H activation barriers using a benchmarked computational method
M.Sc. - IIT Kanpur (2018-2020)
B.Sc. - Deshbandhu College, University of Delhi (2015-2018)
Kashish was 2019 Spark Internship fellow
Current position: Executive officer (Chemist), ONGC
Mahika Luthra
MSc. thesis title: Density functional theoretical studies on a small biomimetic model of tyrosinase
M.Sc. - IIT Roorkee (2018-2020)
B.Sc. - Hindu College, Delhi University (2015-2018)
Current position: PhD in Computational Catalysis, University of Oslo, Norway
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