Skolkovo Institute of Science and Technology
Laboratory for Industry-Oriented Computational Discovery
The main scientific activity of the group is devoted to computational materials discovery for functional and constructional materials with potential for real applications in industry. We use modern methods of computational materials science and artificial intelligence (AI) technique to discover new materials, to study their properties and together with our colleagues who are experts in experiments to synthesize them.
The main directions:
Tungsten pentaboride WB5-x
ML potentials in application to polycrystalline and composite materials
New materials for catalysis
High-entropy materials
Multi-component functional materials
AI-aided search for new materials
Two-dimensional materials
Methods for structure investigations
team (5)
contacts
Skolkovo Institute of Science and Technology
The Territory of the Skolkovo Innovation Center
Russia, Moscow, 121205, Bolshoy Boulevard, 30, bld.1