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, Artificial Intelligence and Machine Learning applications .
My research focuses on the molecular-level investigation of self-assembly processes in nanostructured materials through molecular dynamics simulations. I have explored systems such as CNT-graphene self- assembly, cholesterol sequestration within CNTs, conformational dynamics of n-alkanes in capped CNTs and cavitands (host-guest interactions), crystallization of stearic acid, and PLA self-assembly. Currently, my collaborative and independent projects delve into the applications of deep eutectic solvents, the development of novel solid oxide fuel cell materials, PLA-based systems, and integrating machine learning and artificial intelligence in material innovation. My work is geared towards developing materials with novel physicochemical properties for diverse applications, spanning biomedical, chemical industries, and environmental pollution control. Using MD simulations, I aim to uncover fundamental insights such as driving forces and thermodynamics, while also ensuring practical relevance. I am open to collaborative research that integrates experimental and computational methodologies, leveraging my expertise in MD simulations to enrich and expand investigative frameworks.
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 |
2 | National | Indian Knowledge System for Environmental Sustainability, Climate Action, and Eco-Human Health | Panjab University | Chandigarh | Co-session Chair | Sep-2024 |
3 | National | Research Advisory | Bikaner Technical University | Bikaner | Member of the Research Advisory Committee | Jan-2024 |