About us
Pavel B. Sorokin
PhD, habil. of Physics and Mathematics, Professor
Head of Laboratory of Digital Material Science
PhD, habil. of Physics and Mathematics, Professor
Head of Laboratory of Digital Material Science
Our Laboratory of Digital Materials Science is engaged in the development and application of quantum-chemical methods for modeling various systems at the molecular level. Our research is aimed at solving a wide range of problems related to the study of chemical reaction mechanisms, properties of crystals, nanomaterials and biomolecules.
Our research focuses on solving diverse challenges, including:
Modeling of chemical reactions, quantitative stability assessment, prediction of material properties, analysis of electronic structures, determination of crystal and molecular structure parameters, investigation of drug-carrier binding, and others.
Our research focuses on solving diverse challenges, including:
Modeling of chemical reactions, quantitative stability assessment, prediction of material properties, analysis of electronic structures, determination of crystal and molecular structure parameters, investigation of drug-carrier binding, and others.
- Group membersThe research team consists of highly qualified scientists, research assistants and students
- ResearchThe research activities of the laboratory include conducting experiments and analyzing results using computational chemistry and quantum mechanics techniques.
- SoftwareWe work using advanced quantum chemical modeling techniques and a variety of software such as VASP, Siesta, LAMMPS, Gaussian, etc.
Research team
Contact information
+7(495)955-00-63
ldms@misis.ru
NUST MISIS (block B), Office: 407
4bld1 Leninsky pr., Moscow, 119049, Russia
ldms@misis.ru
NUST MISIS (block B), Office: 407
4bld1 Leninsky pr., Moscow, 119049, Russia
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