Maksim Kulichenko

Uncertainty-driven dynamics for active learning of interatomic potentials

Maksim Kulichenko, Kipton Barros, Nicholas Lubbers et al. · Nature Computational Science · 2023 · 123 citations · Full text

The Rise of Neural Networks for Materials and Chemical Dynamics

Maksim Kulichenko, Justin S. Smith, Benjamin Nebgen et al. · The Journal of Physical Chemistry Letters · 2021 · 95 citations · Full text

Engineering, Machine Learning, Computational Chemistry +21

Can aromaticity be a kinetic trap? Example of mechanically interlocked aromatic [2-5]catenanes built from cyclo[18]carbon

Nikita Fedik, Maksim Kulichenko, Alexander I. Boldyrev · Chemical Communications · 2020 · 76 citations

Hydrated Sulfate Clusters SO₄^2–(H₂O)_<i>n</i> (<i>n</i> = 1–40): Charge Distribution Through Solvation Shells and Stabilization

Maksim Kulichenko, Nikita Fedik, K. V. Bozhenko et al. · The Journal of Physical Chemistry B · 2019 · 45 citations

Expansion of Magnetic Aromaticity Criteria to Multilayer Structures: Magnetic Response and Spherical Aromaticity of Matryoshka‐Like Cluster [Sn@Cu₁₂@Sn₂₀]¹²⁻

Maksim Kulichenko, Nikita Fedik, Alexander I. Boldyrev et al. · Chemistry - A European Journal · 2019 · 38 citations