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Puneet Gupta
Assistant Professor
puneet.gupta[at]cy.iitr.ac.in
01332-28-5742
https://www.puneetguptaiitroorkee.co.in/
Research Interests

Biosketch
Educational Details
Professional Background

Research
Projects
Publications
Patents
Books
Collaborations

Honours and Awards
Honors
Memberships

Teaching Engagements
Teaching Engagements

Students
Supervisions
Associate Scholars

Miscellaneous
Events
Visits
Administrative Positions
Miscellaneous
Research Interests
Molecular Modelling, Quantum Chemistry, Density Functional Theory, CCSD(T), CASSCF, Computational Catalysis, Reaction Mechanisms, In Silico Catalyst Design, Applications in Industrial Processes
BioSketch
Educational Details
University of Frankfurt, Germany
2016
PhD, Computational Chemistry & Inorganic Chemistry
Indian Institute of Technology Kanpur, India
2008
MSc Integrated , Chemistry & Engineering
Professional Background
Max Planck Institute Fellow
01 May 2017 - 30 Apr 2018
Max Planck Institute for Chemical Energy Conversion (with Prof Frank Neese)
Assistant Professor
01 Dec 2018 - Present
IIT Roorkee
Corporate R & D Scientist
01 May 2018 - 30 Nov 2018
Momentive Performance Materials (A global silicones industry)
Max Planck Institute Fellow
01 Jan 2015 - 31 Dec 2016
Max Planck Institute for Coal Research, Germany (with Prof Walter Thiel)
Research
Publications

https://scholar.google.com/citations?user=J0MQMYUAAAAJ&hl=en

 

Honors And Awards
Honors
Momentive Performance Materials (A global silicones industry)
2018
Inspire Momentive Award
Max Planck Institute for Chemical Energy Conversion, Germany
2018
Max Planck Institute Fellowship
Max Planck Institute for Coal Research, Germany
2016
Max Planck Institute Fellowship
CitySolar AG and Beilstein-Institut Frankfurt, Germany
2014
PhD Fellowship
IIT Kanpur, India
2008
Merit-cum-means (MCM) Scholarship
University of Massachusetts, Amherst, USA
2006
Summer Research Scholarship
IIT Kanpur, India
2005
Best Project Award (by Mechanical Engineering Department)
Teaching Engagements
Teaching Engagements
General Organic and Inorganic Chemistry ( CYN 104 )
Spring
Kinetics and Photochemistry ( CYN 504 )
Spring
Group theory and spectroscopy ( CYN 302 )
Spring
Quantum Chemistry and Chemical Bonding ( CYN 301 )
Autumn
Physical Chemistry ( CYN 001 )
Autumn
Chemistry of Industrial Processes ( CYN 782 )
Spring
Students
Associate Scholars
Sumangla Arora
Computational Studies on Metal Catalyzed C-H Activation
Parveen
Effective Catalysts for Water Oxidation - Computational Screening
Miscellaneous
Events
Linear Algebra and Introduction to MATLAB
01 Jan 2013 - Present
Goethe Graduate Academy, Germany
Potential Energy Surfaces (ORCA users meeting, A lecture-cum-workshop session)
01 Jan 2017 - Present
46th Symposium on Theoretical Chemistry: "Quantum Chemistry of Complex Systems"
01 Jan 2010 - Present
University of Frankfurt
Advanced Simulation Methods: DFT, MD and Beyond
01 Jan 2019 - Present
Introduction to Biostatics
01 Jan 2013 - Present
Institute of Molecular Biology, Mainz, Germany
Biomimetic Hydroxylation of Aromatic and Aliphatic C-H Bonds (Indian Embassy Berlin, Germany)
01 Jan 2014 - Present
Young Researcher Conclave
01 Jan 2011 - Present
IIT Ghandinagar, India
Short Course Statistics (Theory and R)
01 Jan 2013 - Present
Goethe Graduate Academy, Frankfurt, Germany
ZCAM Conference: Spin States in Inorganic Chemistry
01 Jan 2012 - Present
University of Frankfurt & ZCAM
Personality Based Communication
01 Jan 2013 - Present
Goethe Graduate Academy, Frankfurt, Germany
Conference on Medicinal Redox Inorganic Chemistry
01 Jan 2013 - Present
University of Frankfurt
Scientific Paper Writing
01 Jan 2013 - Present
Goethe Graduate Academy, Frankfurt, Germany
Frontiers of Computational Biomolecular Spectrometry and Mass Spectrometry
01 Jan 2013 - Present
Centre Européen de Calcul Atomique et Moléculaire
Young Investigator Meet (YIM)
01 Jan 2014 - Present
Embassy of India, Berlin, Germany
IT for Life Sciences
01 Jan 2014 - Present
Bayer Pharmaceuticals
Hybrid QM / MM Approaches to Biochemistry
01 Jan 2015 - Present
CECAM & MPI
3rd ORCA Users’ Meeting
01 Jan 2017 - Present
Max Planck Institute, Muelheim, Germany
Electronic Structure and Spectroscopy of Transition Metal Complexes
01 Jan 2017 - Present
Max Planck Institute, Germany
BIOVIA Dassault Systems Conference
01 Jan 2018 - Present
BIOVIA Dassault Systems
Visits
IIT Delhi
2019-03-17
Research collaborations
IIT G
2019-12-25
Conference
Administrative Positions
Department Coordinator
14 Jan 2019 - 14 Jan 2019
Science Day, IIT Roorkee
Office Incharge Computer Lab
01 Jan 2019 - Present
IIT R
Department Representative Committee - Member
01 Jan 2020 - Present
IIT R
Department Administrative Committee - Member at IIT R
01 Jan 2020 - Present
IIT R
Particulars of course
- Currently looking for talented and highly motivated PhD students. Few positions are available.