Curriculum Vitae
Please click here to download my CV.
Work
My current research interests, however, not limited to, are:
General: Computational chemistry, heterogeneous and electrocatalysis, reaction mechanisms and kinetics, microkinetic modelling,
Specific: Bio-oil/Biofuels upgrading, graphene-based catalysis, water-gas shift reaction, electrocatalytic CO2 reduction and polyol oxidation, fluxional catalysts, and others.
For the above-mentioned research works, I carry out extensive computer simulations on HPC machines using computational chemistry software packages such as GPAW, VASP, Gaussian, and Materials Studio.
Current Position
Assistant Professor in the Department of Chemical Engineering, Motilal Nehru National Institute of Technology (MNNIT) Allahabad, India.
Research Interests : Density functional theory, computational heterogeneous- and electro-catalysis, reaction mechanisms, microkinetic modelling, and machine learning
Thermocatalytic/electrocatalytic CO2 reduction, bio-oil/biofuel upgrading, polyol oxidation, advanced 2D materials, and water splitting
DFT Packages : GPAW, Gaussian, ASE, Material Studio, VASP
Operating Systems : Windows, Linux/Unix
Utility Software : MS Office, Tecplot, XShell, SSH, VMWare, Vesta, LaTex
Super Computers : PARAM-ISHAN, Cori, Comet, Stampede2, Hyperion, Puhti, Sisu, Taito, Oberon, etc.
Coding : Bourne Shell, Python, C++
Skills
Education
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Doctor of Philosophy (Ph.D.)
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Chemical Engineering, Indian Institute of Technology (IIT) Guwahati, India (Jan 2014 – Jul 2018)
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CGPA: 7.67 (course work)
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Thesis Title: Density Functional Theory Investigations on Upgrading of Phenolic Catalogue of Unprocessed Bio-Oil
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Bachelor of Engineering
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Chemical Engineering, Sant Longowal Institute of Engineering and Technology (SLIET), Punjab, India (Jul 2010 – Jun 2013)
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CGPA: 8.55
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Thesis Title: Characterization of Biodiesel Produced from Waste Soybean Oil
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Diploma in Engineering
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Chemical Engineering, Government Polytechnic Gorakhpur, U. P., India (Jul 2007 – Jun 2010)
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Percentage: 77.48 %.
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Project Title: Design of Shell and Tube Heat Exchanger
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10th (High School)
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Mathematics and Science, U. P. Board, Allahabad, India (Jul 2006 – Jun 2007)
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Percentage: 61.83 %.
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Past Experience
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(CV Raman) Postdoctoral Fellow in the Department of Chemical Engineering, Indian Institute of Science, Bengaluru, India. Supervisor: Prof. Ananth Govind Rajan
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Postdoctoral Fellow in the Department of Chemistry, University of Jyväskylä, Finland. Supervisor: Prof. Karoliina Honkala
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Postdoctoral fellow at MMMUT, Gorakhpur, India (Feb 2019 - Mar 2019). Supervisor: Dr S. P. Singh
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Visiting Research Fellow in University of South Carolina (UofSC), Columbia, USA. (January 2018-June 2018). Supervisor: Prof. Andreas Heyden
Professional Affiliations
Indian Institute of Chemical Engineers (Membership no.: LAM-62040)