Our Expertise

We are a team of experts in the field of computational modeling of crystal structures and their properties.

With over 12 years of experience, we and our partners continue to push the boundaries of materials science research. Currently, with support from the Foundation for Assistance to Small Innovative Enterprises in Science and Technology, we're developing innovative online services for materials prediction.

Current Project

FASIE № 5290ГС1/101640 "Development of an online service for forecasting new crystalline materials for solid oxide fuel cells"

Our other products

FastConduct

A simple service for calculating ionic conductivity within kinetic Monte Carlo simulations. The user can upload a structure, set the working ion, the vacancy percentage, and the migration energy, which you can take from calculations (in particular, from the NEB approach or others), or even from experiment. A fast calculation of ionic conductivity at specified temperatures is performed, with an Arrhenius plot generated. In addition, vacancy structure files are produced. The program is capable of handling disordered structures as well.