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Daniel F Thomas du Toit

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The Journal of Chemical Physics|July 11, 2023

Cross-platform hyperparameter optimization for machine learning interatomic potentialsDaniel F Thomas du Toit, Volker L Deringer

Journal of Chemical Theory and Computation|November 6, 2024

Hyperparameter Optimization for Atomic Cluster Expansion PotentialsDaniel F Thomas du Toit, Yuxing Zhou, Volker L Deringer

Nature Communications|September 30, 2025

Full-cycle device-scale simulations of memory materials with a tailored atomic-cluster-expansion potentialYuxing Zhou, Daniel F Thomas du Toit, Stephen R Elliott, et al.

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Search research articles

Showing results (1-10 of 3) with videos related to

Sort By:

Pageof 1

The Journal of Chemical Physics|July 11, 2023

Cross-platform hyperparameter optimization for machine learning interatomic potentialsDaniel F Thomas du Toit, Volker L Deringer

Journal of Chemical Theory and Computation|November 6, 2024

Hyperparameter Optimization for Atomic Cluster Expansion PotentialsDaniel F Thomas du Toit, Yuxing Zhou, Volker L Deringer

Nature Communications|September 30, 2025

Full-cycle device-scale simulations of memory materials with a tailored atomic-cluster-expansion potentialYuxing Zhou, Daniel F Thomas du Toit, Stephen R Elliott, et al.

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