Nicholas Lubbers

14PUBLICATIONS
43CO-AUTHORS
Separation technologiesTheoretical quantum chemistryDeep learningCondensed matter modelling and density functional theoryComputational physiology
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (14)

|Jul 21, 2026
Coupling High-Throughput Density Functional Theory, Automated Experimentation, and Adaptive Experimental Design To Achieve Selective Rare-Earth Element Separations.

|Jul 14, 2026
Reactive Chemistry at the Unrestricted Coupled Cluster Level: High-Throughput Calculations for Training Machine Learning Potentials.

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

|Apr 28, 2026
Knowledge distillation of noisy force labels for improved coarse-grained force fields.

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

Maksim Kulichenko, Robert M Stanton, Cheng-Han Li

|Apr 29, 2025
Including Physics-Informed Atomization Constraints in Neural Networks for Reactive Chemistry.

Shuhao Zhang, Michael Chigaev, Olexandr Isayev

Pageof 3

Frequent Collaborators

8 joint publications

Sergei Tretiak

5 joint publications

Richard Messerly

5 joint publications

Benjamin T Nebgen

4 joint publications

Olexandr Isayev