Welcome to CMEG Lab!

The Computational Molecular Engineering Group (CMEG, pronounced "see-meg") at IIT Gandhinagar studies structure-property relationships in materials through the lens of advanced atomistic and molecular simulations along with complementary techniques from Machine Learning and multi-scale simulations. Some of the exciting research pursued by our group currently include multicomponent alloy design and elucidation of mechanical behavior, biomimetic materials design and materials for energy and environmental applications. Our research progress has been made possible by the dedication of a dynamic research group including several alumni, apart from funding from various agencies. Check out the Research Highlights below and our Research page to learn more!