The extensive growth of computational power and resources over the last two decades has led to a remarkable progress in the large scale simulations at the molecular level. Molecular Dynamics (MD) simulations have been an invaluable tool in elucidating the structural, physico-chemical and dynamic properties of various types of materials both in biology and material science, complementing experimental information. With the state-of -the –art computers, it is currently possible to simulate systems containing several thousands of atoms ranging from hundreds of nanoseconds to microseconds and milliseconds! Since simulation algorithms combine domain knowledge from various disciplines of basic science and computer programming, training manpower in such interdisciplinary fields may be hardly achieved within the boundaries of a prescribed academic curriculum. Thus it is of interest of the academic institutions to conduct regular workshops to advance the existing knowledge in the emerging research areas like Molecular Dynamics of biomolecules.

The objective of this conference is two-fold:

Understanding different algorithms of MD and their relevant applications.
Hands-on practical exercises using NAMD.

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