Modelling and Simulations to Understand Chemical Systems

"Modelling and Simulations to Understand Chemical Systems" encapsulates the central focus of this gathering. Over the course of two stimulating days, this seminar will provide a dynamic and collaborative platform for young researchers to share their latest breakthroughs, exchange novel ideas, and foster cross-disciplinary collaborations in the rapidly evolving realm of computational chemistry, data science, and cheminformatics. Computational chemistry has emerged as an indispensable tool for unravelling the complexities of chemical systems, ranging from small molecules to large biomolecular complexes and advanced materials. By leveraging theoretical models and advanced simulations, researchers can gain deep insights into the fundamental principles governing chemical phenomena, paving the way for groundbreaking advancements across scientific disciplines.

Participants from diverse fields - including chemistry, physics, data science, and related disciplines - are encouraged to apply and submit an abstract for a poster or an oral presentation. Poster presentations and discussion sessions will focus on an array of topics including, but not limited to, quantum mechanics and electronic structure methods, molecular dynamics and multi scale modelling, reaction kinetics and mechanisms, machine learning and cheminformatics, as well as drug design and materials discovery.