About Me and This Page
I am a computational chemistry Ph. D. graduate interested in biomolecular simulations, quantum chemistry and physics informed neural network potentials. read more about me and my research here.
Raafik's Page
Poster Presentation at 2024 CHARMM Developers Meeting and Gordon Research Conference
DISCLAIMER: The content in this article is for demonstration purposes only and may contain errors and technical inaccuracies. Exploring Transferability of Machine Learning Potentials for F...
ACS-SWRM-2023: Dynamic Perspectives on Catalytic Function in Adenylate Kinase
DISCLAIMER: The content in this article is for demonstration purposes only and may contain errors and technical inaccuracies. This article aims to provide a concise overview of my presenta...
Lipari-Szabo $S^2$ Order Parameters from Molecular Dynamics Simulation Trajectories
DISCLAIMER: The content in this article is for demonstration purposes only and may contain errors and technical inaccuracies. This article discusses how molecular dynamics (MD) simulation t...
Statistics of Averages from Molecular Dynamics Trajectories: Time Auto-correlation Function
DISCLAIMER: The content in this article is for demonstration purposes only and may contain errors and technical inaccuracies. This article briefly discusses the theory behind calculating cor...