Anders M N Niklasson

18PUBLICATIONS
90CO-AUTHORS
Deep learningTheoretical quantum chemistryComputational chemistryStatistical mechanics, physical combinatorics and mathematical aspects of condensed matterIntegrable systems (classical and quantum)
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (18)

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

|Mar 05, 2026
Shadow excited state molecular dynamics with the ΔSCF method.

O Jonathan Fajen, Oscar Grånäs, Todd J Martínez

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

Vishikh Athavale, Maksim Kulichenko, Sebastian Fernandez-Alberti

|Feb 12, 2026
Shadow molecular dynamics for flexible multipole models.

Rae A Corrigan Grove, Robert Stanton, Michael E Wall

|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

Pageof 3

Frequent Collaborators

6 joint publications

Sergei Tretiak

5 joint publications

Maksim Kulichenko

3 joint publications

Bálint Aradi

3 joint publications

Michael E Wall