Dhirendra Kumar Mishra
Indian Institute of Technology Guwahati, Laboratoire national lawrence-berkeley, National Institute of Technology Durgapur
0000-0002-5730-7834
About
Experienced computational chemist with a Chemical Engineering background, contributing at the Joint Bioenergy Institute (JBEI). I specialize in heterogeneous and homogeneous catalysis, leveraging DFT, Molecular Dynamics, and machine learning to optimize processes. Proficient in tools like Gaussian, VASP, and LAMMPS, I bridge computational simulations with experimental techniques, including high-pressure reactors, chromatography, and spectroscopy. Skilled in Python and HPC, I collaborate with cross-functional teams to develop sustainable chemical solutions.
In addition to computational work, I have hands-on experience with high-pressure reactors for chemical reactions and expertise in chromatography and spectroscopy analysis. This experimental background allows me to validate and enhance simulation results and collaborate with teams, ensuring a comprehensive understanding of catalytic systems and predicting more accurate and efficient catalyst design and process optimization.
Employment
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Indian Institute of Technology Guwahati Research Scholar2017 - Present
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Laboratoire national lawrence-berkeley
Education
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Indian Institute of Technology Guwahati Doctorate in Philosophy2017 - Present
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National Institute of Technology Durgapur Master of Technology2014 - 2016
Projects & Funding
Projects & funding information is unavailable.
Publications (14)
- Mechanistic Role of Anion Basicity in Imidazolium Ionic Liquids for Amine–Borane Dehydrogenation: Experimental and Theoretical Insights Save
- Mechanistic Insights into the Demethylation of Lignin‐Derived Structures Using Protic Ionic Liquids: A Density Functional Theory Study Save
- Recent Advances in the Use of Ionic Liquids and Deep Eutectic Solvents for Lignocellulosic Biorefineries and Biobased Chemical and Material Production Save
- Computational Advances in Ionic Liquid Applications for Green Chemistry: A Critical Review of Lignin Processing and Machine Learning Approaches Save
- Dihydrolevoglycosenone as a novel bio-based nanofluid for thermal energy storage: Physiochemical and quantum chemical insights Save
- Investigation of molecular interaction, performance of green solvent in esterification of ethanol and acetic acid at 298.15 K and at 1 atm Save
- An Experimental and Theoretical Elucidation: Does the Hydrogen Bond Basicity of Imidazolium-Based Ionic Liquids Affects the Thermolytic Dehydrogenation of Amine-Borane Complexes? Save
- Catalytic Effect of Ionic Liquid Induced H2‑Release from Morpholine Borane Complex: An Efficient Hydrogen Storage Carrier Save
- Examining the Electrochemical Nature of an Ionogel Based on the Ionic Liquid [P66614][TFSI] and TiO2: Synthesis, Characterization, and Quantum Chemical Calculations Save
- Ionic liquid-based deep eutectic solvents as novel solvent-cum-catalyst media for thermal dehydrogenation of chemical hydrides Save