The field of computational modeling is rapidly growing across diverse scientific research areas. Now a days, computer simulation is an indispensable part of research on understanding phenomenon at molecular level. While understanding several properties of molecules or materials require quantum mechanical computer simulation techniques, there are many properties and phenomena at relatively long time and large length scales which can be understood with the help of classical simulations. Both quantum and classical simulations together can address a range of emerging scientific problems.
This is the first workshop on computational methods in science organized by IIT Goa. The main purpose of this workshop is to provide basic knowledge on various computer simulation techniques to young students who are motivated to explore theoretical and computational research. There will be lecture classes followed by hands-on sessions for the students which will develop their skill to solve relevant scientific problems.