SERC School-cum-Symposium on Molecular Simulations:Applications in Engineering Sciences

Department of Chemical Engineering,
Indian Institute of Science, Bangalore

A wide class of engineering phenomena can be explored and understood from a molecular level. These include thermodynamics of phase behaviour, statistical mechanics of interfaces, complex microstructure in oil-water-surfactant systems, prediction of transport properties and materials design. Molecular simulations enables one to probe thermodynamic and transport properties of a wide class of systems given the interactions between its constituent atoms and molecules. Hence it provides a powerful tool to enhance our understanding of systems at the molecular level and design systems from a bottom-up approach. Molecular simulations have been used by engineers over the last 2-3 decades. Advances in computing resources are enabling us to solve a wide range of problems with increasing complexity. The objective of this workshop is to expose the community to molecular simulation techniques with special emphasis on engineering applications. The school will target graduate students, post doctoral researchers, lecturers and assistant professors at the initial stages of their career, as well as researchers from industry. The lectures will be didactic in nature and will enable participants to learn fundamental concepts in Monte Carlo and molecular dynamics simulations as well as develop an appreciation of the wide range of engineering problems that can be solved using these methods. Download the Poster

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