My Research Outline

  • General Overview: My current work lies on the interface of implementing Artificial Intelligence (AI) techniques, deploying multi-scale high performance accelerated simulations and performing scattering experiments (especially neutron and X-Ray) for problems related to
    • soft matter systems especially Biomedical and biological sciences, and
    • making new drug molecules with desired properties.
  • Broader Goal:
    • Optimal use of AI in integrative molecular approach: to find how the AI techniques can be optimally applied to the multi-scale modeling and simulation coupled with experiments
    • Deriving fundamental Physics: to understand the underneath physics of bio(macro)molecular function, activity, folding, microscopic structure and dynamic behavior at different length and time scale and whether that knowledge could lead to designing new therapeutics.
    • Reducing need for expensive computing and experiments by using AI: Additionally, developing AI tools to study large-scale datasets by learning the inherent hidden features of biomolecules in order to reduce the need for expensive computation or experiments.
  • Sneak peek: Please take a sneak peek on my research at Projects section.

Interests

  • Domain
    • Biological/ Biomedical Science
    • Complex/ Disordered system
    • Polymer/ Polyelectrolytes
    • Soft matter
    • Proteomics
    • Gene editing
  • Techniques
    • Artificial Intelligence, Deep Learning
    • Simulation: specially Molecular Dynamics/ Atomistic/ Agent Based
    • Modelling
    • Data Analytics
    • Scattering: specially Neutron/ X-ray/ Light