Journal Publications
Conference Publications
PhD Research Supervised
Awards & Honours
Molecular dynamics simulations, Self-assembly of nanostructured materials, Molecular modeling , Advanced Composites, Composite and Nanocomposite materials.
My research interest is driven by the investigation of molecular-level details for self-assembly of nanostructured materials using molecular dynamics simulations. I have worked on the few systems during doctoral and post-doctoral work, which include self-assembly of CNT-graphene system, sequestration of cholesterol inside CNT, conformational rearrangements of n-alkanes inside capped CNTs and cavitand (host- guest interactions) and crystallization of stearic acid. Ongoing collaborative research work includes exploring crystallization of SA in the presence of non-ionic surfactants, highlighting the counterion condensation on an aggregation of linear Polyethylenimine chains, application of hybrid nanostructures in carbon-sequestration and probing self-assembly of cyclic peptides for drug entrapment. I plan to align my research work towards developing materials with novel physicochemical properties for their applications in the fields ranging from the biomedical and chemical industries to environmental pollution control through the use of MD simulation technique. Outcomes of simulations would be driven towards both acquiring fundamentals such as driving forces, thermodynamics, etc. and their actual physical applications. I am open to collaborative research work; both experimental and computational, where-in my experience in the field of MD simulations, can find its applicability to enhance, improve and extend the application and depth of proposed investigations.
Level | Type | Organization | Department Involved | Month-Year |
---|---|---|---|---|
National | Teaching, Research and Student Exchange | Tata Consultancy Services | Research & Innovation Academic COIN | Dec-2023 |
SNo. | Type | Title | Event | Place | Schedule |
---|---|---|---|---|---|
1 | Talk | "Computational Perspectives of Chemistry" | National Chemistry Week Celebration | American Chemical Society, Delhi Technological University | Oct-2021 |
2 | Talk | “Hands on session: GROMACS – installation /setting up simulations and interesting case studies” | Short Term Course on basic principles of DFT/MD Simulations | MNIT Jaipur | Nov-2020 |
S.No. | Category | Name of Activity | Organization | Place | Position | Schedule |
---|---|---|---|---|---|---|
1 | National | Enviornmental Sustainability: Solutions through Technology and Indigenous Knowledge Systems | RTU Kota | Kota | Co-session Chair | Oct-2023 |