amolt@iitk.ac.in
Senior Project Scientist (2025 - Present)
Research Area Metal-organic frameworks (MOFs) inhibit ice recrystallization by disrupting the growth and reorganization of ice crystals, likely through surface interactions and hydrogen bonding. We employing the density functional theory (DFT) calculations and molecular dynamics (MD) simulations to investigate this phenomenon.
Area of Interest 1. Ab-initio and classical molecular Dynamics simulation 2. Programming in bash shell scripting 3. Machine learning
Expertise 1. Ab-initio and Classical Molecular Dynamics simulation 2. Bash shell scripting