New Materials Modeling and Development Laboratorywas established in May 2014 when NUST MISIS won the Russian Government open competition program. The main goal is to develop a new generation of theoretical tools using the fundamental quantum physics approach.
The main task of the Laboratory is to develop new generation of theoretical methods at the most fundamental level of quantum physics. The developed tools will have predictive power sufficient for intelligent design of materials: automated prediction of compositions and structure of materials according to the specified properties. New materials and phenomena with strategic potential for technology-oriented application will be discovered and studied based on the most modern methods of computer modeling. Joint investigations with the experimental groups will allowus to confirm the theoretical predictions experimentally. To date, the University supercomputer is in the top 50 supercomputers of CIS.