Skolkovo Institute of Science and Technology
The laboratory researches materials and chemical compounds using computer modeling and artificial intelligence methods. The laboratory staff 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 called computer materials science or computational chemistry.
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