I am a Ph.D. researcher in the Theoretical Chemical Physics group at the University of Luxembourg,
advised by Prof. Alexandre Tkatchenko. My research focuses on extending the applicability of
Machine Learning Force Fields to larger molecules, with a particular emphasis on accurately describing long-range interactions.
My ultimate goal is to enable atomistic-level modeling and understanding of increasingly complex (bio)molecular systems.
I received my B.Sc. and M.Sc. in Chemistry from Moscow State University in 2021, specializing in Physical and Quantum Chemistry.
During my Master's degree, I joined the Quantum Photodynamics Laboratory,
where I studied fundamental chemical processes of living organisms using state-of-the-art quantum chemistry methods.
These included photo-induced isomerization of retinal, and proton and electron transfer in green fluorescent protein.
As an undergraduate, I pursued research in organic synthesis, developing efficient routes for naturally occurring alkaloids,
and designing asymmetric ion-pairing catalysts.
I grew up in Pavlodar, Kazakhstan, and discovered my passion for natural sciences by participating in chemistry Olympiads in high school.
Besides research, my interests include counter-strike, chess, and russian rap music.
Latest News
04/2025 - I will be attending WATOC and Psi-k with a poster presentation and AI4X with a contributed talk
03/2025 - I was invited to speak at the AIChemist and ML in Physical Sciences CECAM Schools, and the Lennard-Jones Centre Meeting
03/2025 - I am visiting Klaus-Robert Müller's group in Berlin for the next three months
02/2025 - Two parts (I, II) of the TEA Crash Testing MLFFs Challenge are published in Chem. Sci.
01/2025 - Our paper on Analyzing Atomic Interactions in Molecules as Learned by Neural Networks is out in JCTC
12/2024 - Our work on Modeling of Mechanical Properties of Nanoporous Graphenes is out in Adv. Funct. Mater.
11/2024 - I gave an invited talk at the COSMO Lab Seminar in Lausanne
11/2024 - I gave an invited talk at the CECAM Workshop in Lausanne
10/2024 - I gave an invited talk at the AI4Science online seminar
10/2024 - I gave an invited talk at the TSRC Workshop in Telluride
10/2024 - Our work on Molecular Simulations with SO3LR is out on ChemRxiv (github)!
05/2024 - Great news! I won Wiley-VCH Best Poster Award at the Chemical Compounds Space Conference in Heidelberg
05/2024 - I gave an invited talk at the uni.lu ML seminar
12/2023 - I gave a talk at the IPAM reunion in Lake Arrowhead. Feels great to be back in sunny LA
09/2023 - Just got through my second thesis committee meeting - the journey continues!
07/2023 - I will be traveling to Los Angeles in December for an IPAM reunion conference
06/2023 - Our paper on Efficient interatomic descriptors for MLFFs of extended molecules is now published in Nat. Commun.
05/2023 - New website is up!
03/2025 - I was invited to speak at the AIChemist and ML in Physical Sciences CECAM Schools, and the Lennard-Jones Centre Meeting
03/2025 - I am visiting Klaus-Robert Müller's group in Berlin for the next three months
02/2025 - Two parts (I, II) of the TEA Crash Testing MLFFs Challenge are published in Chem. Sci.
01/2025 - Our paper on Analyzing Atomic Interactions in Molecules as Learned by Neural Networks is out in JCTC
12/2024 - Our work on Modeling of Mechanical Properties of Nanoporous Graphenes is out in Adv. Funct. Mater.
11/2024 - I gave an invited talk at the COSMO Lab Seminar in Lausanne
11/2024 - I gave an invited talk at the CECAM Workshop in Lausanne
10/2024 - I gave an invited talk at the AI4Science online seminar
10/2024 - I gave an invited talk at the TSRC Workshop in Telluride
10/2024 - Our work on Molecular Simulations with SO3LR is out on ChemRxiv (github)!
05/2024 - Great news! I won Wiley-VCH Best Poster Award at the Chemical Compounds Space Conference in Heidelberg
05/2024 - I gave an invited talk at the uni.lu ML seminar
12/2023 - I gave a talk at the IPAM reunion in Lake Arrowhead. Feels great to be back in sunny LA
09/2023 - Just got through my second thesis committee meeting - the journey continues!
07/2023 - I will be traveling to Los Angeles in December for an IPAM reunion conference
06/2023 - Our paper on Efficient interatomic descriptors for MLFFs of extended molecules is now published in Nat. Commun.
05/2023 - New website is up!