News and Conferences

Meeting and Workshop on Molecular Dynamics Simulation of Various Biological and Chemical Systems

This workshop will deal with the basic theoretical concepts and practical examples of all-atom molecular dynamics (MD) simulation methods. MD simulations have garnered considerable interest from both academic and industrial communities due to their ability to model complex interactions at the molecular level. MD simulations are widely used in chemistry, physics, engineering, biology, and materials science. Such methods are helpful in the drug design and materials genome approach to accelerating the discovery and development of new materials and technologies. MD simulations are particularly valued for understanding “structure-properties” relationships. This workshop covers basic MD topics with practical parts, from the main steps of preparing inputs to output analysis methods for obtaining various structural, dynamical, transport, and thermodynamic properties. Some considered biological and chemical systems are clathrate hydrates, lipid bilayer membranes, drug-loaded nanovectors, proteins, ionic liquids, etc.

Professor Saman Alavi from the University of Ottawa, Canada, and Dr. Mohammad Hossein Kowsari, along with some young researchers from the Physical Chemistry group in the Department of Chemistry of the Institute for Advanced Studies in Basic Sciences (IASBS), will share their recent findings in this workshop.

Wed, 14 May 2025

Meeting and Workshop on Molecular Dynamics Simulation of Various Biological and Chemical Systems

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