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Vishal Kumar Porwal

@vishalkumarporwal

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I model chemical reactivity, solvation, pyrolysis, and combustion using computational chemistry.

France

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What I'm looking for

I'm looking to apply computational chemistry, molecular modeling, and kinetic modeling to research on chemical reactivity, thermal decomposition, combustion, solvation, or advanced materials.

I've conducted thermodynamic and kinetic modeling of organophosphorus compounds at LRGP-UL, studying pyrolysis and combustion to support safety, performance, and process optimization in energetic materials and industrial reactions.

During my Ph.D. at Université de Lorraine, I simulated vibrational properties and solvation effects with QM/MM, Gaussian, and Amber, and developed customized force fields for spectral prediction. My work spans molecular dynamics, nanoconfinement, chemical kinetics, force-field development, and computational studies published in journals including Molecules, Journal of Molecular Liquids, and Journal of Computational Chemistry.

Experience

Work history, roles, and key accomplishments

Postdoctoral Researcher

LRGP-UL

May 2023 - Aug 2025 (2 years 3 months)

Conducted thermodynamic and kinetic modeling of organophosphorus compounds, studying pyrolysis and combustion to support safety and process optimization in energetic materials and industrial reactions. Developed and validated models in Chemkin Pro and Python for reliable simulations of thermal decomposition pathways.

Chemical Kinetics CHEMKIN Python Kinetic Modeling Pyro Processes Process Optimization

Master's internship

indian institute of science education and research Mohali

Aug 2018 - May 2019 (9 months)

Molecular modeling of pyridinophanes containing main group el-
ements (B and Al) including complexes of boranes with bicyclic
(alkyl)(amino)carbene (BICAAC)
• One of the first computational studies of bicyclic alkylamino
carbene and its complexes
• Intensive use of quantum computing tools and supercomputers
• Data management and communication with experimental col-
laborators

Python Excel Project Management Data Analysis Microsoft Office English Computational Chemistry Chemistry Research High Performance Computing

Education

Degrees, certifications, and relevant coursework

Université de Lorraine

Doctor of Philosophy, Chemistry

2019 - 2022

Ph.D. in Chemistry with a focus on theoretical tools to study solvation in liquid and nanoconfined phases. Simulated vibrational properties and solvation effects using QM/MM, Gaussian, and Amber, improving understanding of hydrated carboxylates.

Indian Institute of Science Education and Research Mohali

Bachelor of Science and Master of Science, Chemistry

2014 - 2019

Grade: 8.1/10

Bachelor and Master (BS-MS dual degree) with a major in Chemistry. Completed four years of coursework and a final year master's research project, achieving a CPI of 8.1/10.