Dmitry Aksyonov
Assistant Professor
Leader of Computational Materials Group
Computational Materials Group
Skolkovo Institute of Science and Technology

Materials modeling of energy storage and conversion materials. See Researh Directions tab.

Dmitry started his research at Belgorod State University (BSU) in 2008 studying grain boundary segregation of C,N,O, Fe impurities and precipitation of Ti-C phases in hcp titanium using DFT methods. In 2014 he defended his Candidate of Sciences degree in Physics and Mathematics. During 2013-2014 Dmitry worked at Max-Planck-Institute for Iron Research (MPIE), Düsseldorf, with T. Hickel and Prof. J. Neugebauer. In 2016 Dmitry got a position of Research Scientist at Skoltech, where he started to study new inorganic materials for cathodes of secondary metal-ion batteries (Li-ion, Na-ion, K-ion, Li-air) using computational methods. Over the years working at Skoltech Center for Energy Science and Technology, Dmitry has expanded materials development for next-generation metal-ion batteries using computational techniques. His research having both fundamental and applied relevance was focused on improving battery materials’ safety and lifespan as well as searching for new energy materials. In collaboration with his colleagues, Dmitry helped to leverage complex structure-property relationships in newly developed battery materials paving the path for their improvement and successful commercialization. In 2022 Dmitry got a position of Assistant Professor at Skoltech, where he continued the computational study of materials for next-generation metal-ion batteries focusing on electrode/electrolyte interfaces and corresponding problems. During his academic carrier Dmitry leads development of special software SIMAN for high-throughput DFT calculations.