The Computational Materials Science Center (CMaSC) is an integral part of the College of Science (COS) , George Mason University (GMU) .

Researchers in the Computational Materials Science Center focus on the discovery, interpretation, simulation, and organization of the microscopic interactions between atoms and molecules in condensed phases of materials including biomaterials. The ability to predict materials properties is a fundamental requirement of technological advances and economic competitiveness.

The Center promotes the Mason Nanotechnology Initiative and their members provide academic support to several doctoral programs including the Computational Materials and Physical Chemistry Sciences concentration area of the Computational Sciences and Informatics (CSI) doctorate program administered by the School of Physics, Astronomy, and Computational Sciences (SPACS) .