Materials Discovery Laboratory

The laboratory is at the forefront of materials and chemical compounds research using methods of quantum mechanical computer modeling and artificial intelligence. The laboratory staff creates new computational methods, develops new materials, predicts their properties and works to improve the processes of creating materials through theoretical and computational approaches. This area of science is known as computer materials science. New substances discovered using such methods are confirmed experimentally and often challenge the traditional rules of chemistry.

The laboratory also develops fundamental chemical concepts and actively cooperates with a number of companies.

Artem

Oganov

Distinguished Professor

Head of the Material Discovery Laboratory

research areas

education programs

prediction of new materials: using computer modeling to find new materials with unique properties such as strength, conductivity, and others

investigation of phase transitions and structures of materials: the study of the structure and properties of materials at the level of atoms and molecules, including phase transitions and phase diagrams

optimization of methods of synthesis of materials: development of new methods of synthesis of materials based on the results of computer modeling to improve the efficiency of the processes of creation of materials

nanomaterials research: the study of nanostructured materials and their properties such as mechanical, electrical and optical properties

application of artificial intelligence in materials science: development and application of machine learning methods and other artificial intelligence algorithms for the analysis and prediction of material properties