Area of research
Materials Chemistry · Molecular Biology
Research interest
Research interests include Protein Structure and Dynamics, Material Dynamics and Properties, Supramolecular Self-Assembly in Materials, and Machine Learning in Materials Science.
Harnessing Peptide Binding to Capture and Reclaim Phosphate
Combined Force-Frequency Sampling for Simulation of Systems Having Rugged Free Energy Landscapes
Free energy of metal-organic framework self-assembly
SSAGES: Software Suite for Advanced General Ensemble Simulations
Adaptive enhanced sampling by force-biasing using neural networks
Spherical nematic shells with a prolate ellipsoidal core