Next-Generation Simulations: Integrating Machine Learning with Materials Modelling

Dr. Hasnain Sajid is a Postdoctoral Fellow in Prof. Tom Woo's group at the University of Ottawa, Canada, where he develops machine-learned interatomic potentials to study guest molecule diffusion in flexible Metal–Organic Frameworks (MOFs). He earned his PhD in 2023 from Nottingham Trent University, UK, under a fully funded scholarship, with research focused on small molecule adsorption in layered materials. Prior to that, he completed his MS in Computational Chemistry at COMSATS University, Pakistan, and served as a Research Associate at the Computational Chemistry Lab, contributing significantly to molecular sensor material simulations using density functional theory. His broader research interests include the computational modelling of porous materials such as MOFs and COFs for carbon capture, gas storage, and separation, with a strong emphasis on integrating molecular simulations and machine learning. His talk, titled "Next-Generation Simulations: Integrating Machine Learning with Materials Modelling", will highlight the transformative role of computational approaches in materials science.