Maksim Kulichenko

11PUBLICATIONS
25CO-AUTHORS
Modelling and simulationDeep learningTheoretical quantum chemistryAdversarial machine learningComputational chemistry
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Publications (11)

|Aug 31, 2026
ALF: Open-Source Active Learning Framework for Atomistic Modeling.

|May 27, 2026
Enhancing Molecular Dipole Moment Prediction with Multitask Machine Learning.

|Feb 19, 2026
High-Performance Semiempirical Excited-State Molecular Dynamics Powered by Graphics Processing Units.

Vishikh Athavale, Maksim Kulichenko, Sebastian Fernandez-Alberti

|Jan 27, 2026
Ground and excited state gradients with end-to-end differentiable semiempirical quantum chemistry.

Vishikh Athavale, Maksim Kulichenko, Nikita Fedik

|Oct 27, 2025
GPU-Accelerated Graph-Based Semiempirical Quantum Chemistry.

Maksim Kulichenko, Robert M Stanton, Cheng-Han Li

|Nov 21, 2024
Data Generation for Machine Learning Interatomic Potentials and Beyond.

Maksim Kulichenko, Benjamin Nebgen, Nicholas Lubbers

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Frequent Collaborators

10 joint publications

Sergei Tretiak

5 joint publications

Nicholas Lubbers

5 joint publications

Anders M N Niklasson

4 joint publications

Nikita Fedik