A S Palakkal,PhD,MRSC

I am a passionate designer specializing in molecular modeling through advanced computational techniques. My expertise focuses on discovering novel porous adsorbents, including Metal-Organic Frameworks (MOFs), Covalent Organic Frameworks (COFs), and Hydrogen-Bonded Organic Frameworks (HOFs). Utilizing Grand Canonical Monte Carlo (GCMC), high-throughput screening, I meticulously evaluate and optimize their adsorption capacities. 

My proficiency encompasses:

• Force-Field-Based Monte Carlo Simulation Techniques

• High-throughput Screening and Machine Learning

• Density Functional Theory (DFT)

• Force Field Generation

• Toxic Gas Separation and Purification Technologies

• Adsorption and Physical Chemistry of Materials

I also possess a keen understanding of dynamics studies via Ab-Initio Molecular Dynamics, allowing for in-depth analysis and insight into molecular behavior.