Alexander Zimin

Postgraduate Student: Faculty of Mathematics

Language Proficiency: English

Contacts: Phone:
22026; Address: 11 Pokrovsky Bulvar, Pokrovka Complex, room T926

Office hours: по договоренности

Supervisor: A. Naumov

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HomeResearch and PublicationsIn HSE news

Postgraduate Studies

4th year of study
Approved topic of thesis: New generalizations of the Monge-Kantorovich problem and its applications
Academic Supervisor: Alexander Kolesnikov

Publications

2025³

Article

Chen Y., Liu D., Xu X., Wang X., Jiao X., Bai Y., Xiong S., Vasenko A., Wang Y., Song Z., Liu Y.

Improving the Cycling Stability of NCM811 at High-Voltage 4.5V in Ester-Based Electrolytes with LiDFOB

// SMALL METHODS. 2025. Article 2401178. doi (in press)

Article

Wu Y., Liu D., Chu W., Wang B., Vasenko A., Prezhdo O.

Point Defects at Grain Boundaries Can Create Structural Instabilities and Persistent Deep Traps in Metal Halide Perovskites

// Nanoscale. 2025. Vol. 17. No. 4. P. 2224–2234. doi

Article

Wang Z., Liu D., Xia C., Shi X., Zhou Y., Liu Q., Huang J., Wu H., Zhu D., Zhang S., Li J., Deng P., Andrey S. Vasenko, Xia B. Y., Tian X.

Tip carbon encapsulation customizes cationic enrichment and valence stabilization for low K+ acidic CO2 electroreduction

// Nature Communications. 2025. Vol. 16. Article 1754. doi

2024¹²

Article

Nayak P. K., Perez C. M., Liu D., Prezhdo O., Ghosh D.

A-Cation-Dependent Excited State Charge Carrier Dynamics in Vacancy-Ordered Halide Perovskites: Insights from Computational and Machine Learning Models

// Chemistry of Materials. 2024. Vol. 36. No. 8. P. 3875–3885. doi

Article

Liu D., Wang B., Wu Y., Vasenko A., Prezhdo O.

Breaking the size limitation of nonadiabatic molecular dynamics in condensed matter systems with local descriptor machine learning

// Proceedings of the National Academy of Sciences of the United States of America. 2024. Vol. 121. No. 36. Article e2403497121. doi

Article

Liu D., Wu Y., Mikhail R. Samatov, Andrey S. Vasenko, Evgueni V. Chulkov, Prezhdo O. V.

Compression Eliminates Charge Traps by Stabilizing Perovskite Grain Boundary Structures: An Ab Initio Analysis with Machine Learning Force Field

// Chemistry of Materials. 2024. Vol. 36. No. 6. P. 2898–2906. doi

Article

Liu D., Wang B., Andrey S. Vasenko, Prezhdo O.

Decoherence Ensures Convergence of Non-adiabatic Molecular Dynamics with Number of States

// Journal of Chemical Physics. 2024. Vol. 161. No. 6. Article 064104. doi

Article

Jiang X., Tan J., Liu D., Feng Y., Chen K., Kazakova E., Vasenko A., Chulkov E.

Ferroelectric Polarization and Single-Atom Catalyst Synergistically Promoting CO2 Photoreduction of CuBiP2Se6

// The Journal of Physical Chemistry Letters. 2024. Vol. 15. No. 13. P. 3611–3618. doi

Article

Wang B., Liu D., Wu Y., Andrey S. Vasenko, Prezhdo O.

Identifying Rare Events in Quantum Molecular Dynamics of Nanomaterials with Outlier Detection Indices

// The Journal of Physical Chemistry Letters. 2024. Vol. 15. No. 41. P. 10384–10391. doi

Article

Jiang X., Tan J., Liu D., Feng Y., Chen K., Long R., Andrey S. Vasenko

Improved Carrier Separation and Recombination by Ferroelectric Polarization in the CuBiP2Se6/C2N Heterostructure: A Nonadiabatic Molecular Dynamics Study

// The Journal of Physical Chemistry Letters. 2024. Vol. 15. No. 10. P. 2867–2875. doi

Article

Samatov M., Liu D., Zhao L., Kazakova E., Abrameshin D., Das A., Vasenko A., Prezhdo O.

Ion Migration at Metal Halide Perovskite Grain Boundaries Elucidated with a Machine Learning Force Field

// The Journal of Physical Chemistry Letters. 2024. Vol. 15. No. 50. P. 12362–12369. doi

Article

Wang K., Liu L., Liu D., Wei Y., Liu Y., Wang X., Andrey S. Vasenko, Li M., Ding S., Xiao C., Pan H.

MOF-Derived CoSe2 Nanoparticles/Carbonized Melamine Foam as Catalytic Cathode Enabling Flexible Li–CO2 Batteries with High Energy Efficiency and Stable Cycling

// Small. 2024. Vol. 20. No. 27. Article 2310530. doi

Article

Das A., Liu D., Wu Y., Bayan Amer Abzakh, Madhumitha R., Preethi M., Kazakova E., Andrey S. Vasenko, Prezhdo O.

Origin of the Improved Photoelectrochemical and Photocatalytic Activity in a ZnO-TiO2 Nanohybrid Revealed by Experimental and Density Functional Theory Studies

// The Journal of Physical Chemistry Letters. 2024. Vol. 15. No. 29. P. 7524–7532. doi

Article

Tan J., Jiang X., Liu D., Ahmad Ostovari Moghaddam, Stolyarov V., Xiao S., Andrey S. Vasenko

The origin of broadband blue emission in zero-dimensional organic lead iodine perovskites: a first-principles study

// Journal of Chemical Physics. 2024. Vol. 161. No. 14. Article 144307. doi

Article

Liu D., Bayan Amer Abzakh, Kazakova E., Dmitrii A. Abrameshin, Troshin P., Long R., Andrey S. Vasenko

Wave function Localization Reduces the Bandgap of Disordered Double Perovskite Cs2AgBiBr6

// The Journal of Physical Chemistry Letters. 2024. Vol. 15. No. 45. P. 11268–11274. doi

2023⁷

Article

Wang B., Wu Y., Liu D., Vasenko A., Casanova D., Prezhdo O. V.

Efficient Modeling of Quantum Dynamics of Charge Carriers in Materials Using Short Nonequilibrium Molecular Dynamics

// The Journal of Physical Chemistry Letters. 2023. Vol. 14. No. 37. P. 8289–8295. doi

Article

Das A., Liu D., Wary R. R., Andrey S. Vasenko, Prezhdo O. V., Nair R.

Enhancement of Photocatalytic and Photoelectrochemical Performance of ZnO by Mg Doping: Experimental and Density Functional Theory Insights

// The Journal of Physical Chemistry Letters. 2023. Vol. 14. No. 18. P. 4134–4141. doi

Article

Liu D., Wu Y., Vasenko A., Prezhdo O. V.

Grain boundary sliding and distortion on a nanosecond timescale induce trap states in CsPbBr3: ab initio investigation with machine learning force field

// Nanoscale. 2023. Vol. 15. No. 1. P. 285–293. doi

Article

Ran J., Wang B., Wu Y., Liu D., Perez C. M., Vasenko A., Prezhdo O. V.

Halide Vacancies Create No Charge Traps on Lead Halide Perovskite Surfaces but Can Generate Deep Traps in the Bulk

// The Journal of Physical Chemistry Letters. 2023. Vol. 14. No. 26. P. 6028–6036. doi

Article

Wang K., Liu D., Liu L., Li X., Wu H., Sun Z., Li M., Vasenko A., Ding S., Wang F., Xiao C.

Isolated Metalloid Tellurium Atomic Cluster on Nitrogen-Doped Carbon Nanosheet for High-Capacity Rechargeable Lithium-CO2 Battery

// Advanced Science. 2023. Vol. 10. No. 7. Article 2205959. doi

Article

Das A., Liu D., Wary R. R., Vasenko A., Prezhdo O. V., Nair R.

Mn-Modified ZnO Nanoflakes for Optimal Photoelectrochemical Performance Under Visible Light: Experimental Design and Theoretical Rationalization

// The Journal of Physical Chemistry Letters. 2023. Vol. 14. No. 43. P. 9604–9611. doi

Article

Zhao R., Xu S., Liu D., Wei L., Yang S., Yan X., Chen Y., Zhou Z., Su J., Guo L., Burda C.

Modulating the electronic structure of NiFe hydroxide by Zr doping enables industrial-grade current densities for water oxidation

// Applied Catalysis B: Environmental. 2023. Vol. 338. Article 123027. doi

2022⁴

Article

Liu D., Perez C. M., Vasenko A., Prezhdo O. V.

Ag–Bi Charge Redistribution Creates Deep Traps in Defective Cs2AgBiBr6: Machine Learning Analysis of Density Functional Theory

// The Journal of Physical Chemistry Letters. 2022. Vol. 13. No. 16. P. 3645–3651. doi

Article

Wang Z., Zhou Y., Liu D., Qi R., Xia C., Li M., You B., Xia B. Y.

Carbon-Confined Indium Oxides for Efficient Carbon Dioxide Reduction in a Solid-State Electrolyte Flow Cell

// Angewandte Chemie - International Edition. 2022. Vol. 61. No. 21. Article 202200552. doi

Article

Wu Y., Liu D., Chu W., Wang B., Andrey S. Vasenko, Prezhdo O. V.

Fluctuations at Metal Halide Perovskite Grain Boundaries Create Transient Trap States: Machine Learning Assisted Ab Initio Analysis

// ACS Applied Materials & Interfaces. 2022. Vol. 14. No. 50. P. 55753–55761. doi

Article

Wang K., Liu D., Liu L., Liu J., Hu X. F., Li P., Li M., Andrey S. Vasenko, Xiao C., Ding S.

Tuning the local electronic structure of oxygen vacancies over copper-doped zinc oxide for efficient CO2 electroreduction

// eScience. 2022. Vol. 2. No. 5. P. 518–528. doi

Jan

2025

Scientists Disprove Bunkbed Conjecture

Mathematicians from Russia, including two HSE graduates, have disproven a well-known mathematical conjecture that, despite lacking solid proof, had been considered valid for 40 years. The ‘Bunkbed Conjecture’ belongs to percolation theory—a branch of mathematics that studies the formation of connected structures in independent environments.

Alexander Zimin

Postgraduate Studies

Publications

20253

202412

20237

20224

Scientists Disprove Bunkbed Conjecture

2025³

2024¹²

2023⁷

2022⁴