Last date for submission of paper: 17-Feb-2020; Contact person: unknown; Molecular Simulation is a powerful tool to investigate the thermodynamic and transport properties of a variety of systems. A wide class of scientific phenomena can be explored and understood from a molecular level. The advances in computing technology have also enabled us to solve a range of complex problems. The objective of this workshop is to introduce the participants to various molecular simulation techniques with special emphasis on engineering applications. The school is targeted particularly for Graduate Students, Post-Doctoral Researchers, Industry Professionals, Young Lecturers, and Assistant Professors. The lectures, tutorials and hands-on sessions will enable the participants to learn the fundamental concepts of molecular simulations and its applications in solving a wide range of engineering problems.