Maksim Kulichenko

10PUBLICATIONS
22CO-AUTHORS
Deep learningTheoretical quantum chemistryAdversarial machine learningComputational chemistryElectronic and magnetic properties of condensed matter; superconductivity
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (10)

|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

|Jan 04, 2024
Uncertainty-driven dynamics for active learning of interatomic potentials.

Maksim Kulichenko, Kipton Barros, Nicholas Lubbers

Pageof 2

Frequent Collaborators

9 joint publications

Sergei Tretiak

5 joint publications

Anders M N Niklasson

4 joint publications

Nikita Fedik

4 joint publications

Nicholas Lubbers