The school was founded in 1994 with an intention to bridge the gap between pure sciences and computer science. It offers MSc in Scientific Computing formerly known as M.C.S. (Master of Computer science with specialization in scientific computing). To interface interdependent disciplines of computer science and pure sciences as also application programming and scientific computing, it is one of the first of its kind in India. It has close association with the Department of Chemistry and the Centre for Development of Advanced Computing (C-DAC). The department currently offers Master of Computer Science(M.C.S.), with specialization in Scientific Computing which is an autonomous course conducted at the University of Pune.
The Center was established in 2003, to promote, support and facilitate academic and research activities related to modeling and simulation that use computation as the "third scientific methodology" and transcend traditional boundaries separating individual scientific disciplines. The Center benefits from an on-going, active, and enthusiastic participation of experts from industry and academics either in an advisory capacity or in teaching, and other activities of the Center from time to time. Areas of research include high performance computing and large-scale numeric, modeling of complex systems and materials modeling.