Nicholas Lubbers

15PUBLICATIONS
46CO-AUTHORS
Modelling and simulationSeparation technologiesTheoretical quantum chemistryDeep learningCondensed matter modelling and density functional theory
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Publications (15)

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

|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

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Frequent Collaborators

9 joint publications

Sergei Tretiak

5 joint publications

Richard Messerly

5 joint publications

Benjamin T Nebgen

5 joint publications

Maksim Kulichenko