Samuel P Niblett

8PUBLICATIONS
95CO-AUTHORS
Semi- and unsupervised learningComputational chemistryElectrical energy generation (incl. renewables, excl. photovoltaics)Colloid and surface chemistryOrganic semiconductors
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Publications (8)

|Mar 31, 2026
Limitations of Cluster-Trained MLIPs for Liquid Density and Diffusivity.

Viktor Svahn, Ioan-Bogdan Magdău, Samuel P Niblett

|Nov 13, 2025
A foundation model for atomistic materials chemistry.

Ilyes Batatia, Philipp Benner, Yuan Chiang

|Jun 05, 2025
Transferability of Data Sets between Machine-Learned Interatomic Potential Algorithms.

Samuel P Niblett, Panagiotis Kourtis, Ioan-Bogdan Magdău

|Aug 09, 2024
The effect of ionic association on the electrochemistry of redox mediators for Li-O2 batteries: developing a theoretical framework.

Gabriela Horwitz, Vera Kunz, Samuel P Niblett

|Apr 01, 2024
Understanding Sorption of Aqueous Electrolytes in Porous Carbon by NMR Spectroscopy.

Dongxun Lyu, Katharina Märker, Yuning Zhou

|Apr 21, 2021
Crystal Structure Prediction for Benzene Using Basin-Hopping Global Optimization.

Atreyee Banerjee, Dipti Jasrasaria, Samuel P Niblett

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Frequent Collaborators

4 joint publications

Clare P Grey

3 joint publications

Gábor Csányi

3 joint publications

Ioan-Bogdan Magdău

2 joint publications

Kersti Hermansson