Projects

We are working in the field of computational materials science, but mostly directed to practical applications.
The most important projects for us which we are developing and will develop are listed below

• Tungsten pentaboride WB_5-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