Research
At some point, when I have more free time, I would like to outline my research interests in more detail. Till then, however, the summary below will have to suffice.
Ongoing Projects and Research Interests
- Non-adiabatic molecular dynamics (NAMD) to study the excited state behaviour of biomolecules
- Photochemistry of amino-acids and proteins, particularly the mechanisms behind Non-Aromatic Fluorescence (NAF)
- Developing methods for causality inference in molecular systems
- Developing unsupervised machine learning methods for biomolecular systems (in the context of both classical MD and excited-state NAMD simulations)
- Protein-Solvent interactions: Time-dependent Fluorescence Stokes Shift and other locally sensitive phenomena
- Machine learning potentials to study crystal polymorphism
- Studying allostery and information transfer in proteins
- Molecular mechanisms responsible for neurodegenerative diseases
- Origin of homochirality in proteins and sugars
Previous Projects
- First-Passage Time analysis to understand the diffusive behaviour of water in heterogeneous biological systems (Master’s thesis)
- Solving Nonlinear Langevin Equations using techniques inspired by perturbation theory (Relevant Paper)
- Developing computational methods to predict aggregate structures of organic dyes
- Studying chaotic systems (Rayleigh oscillator) in the context of biophysics
- Graph theory inspired methods to study/predict chemical properties