Niamh O'Neill
6PUBLICATIONS
87CO-AUTHORS
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Publications (6)
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|Nov 13, 2025
A foundation model for atomistic materials chemistry.Ilyes Batatia, Philipp Benner, Yuan Chiang
|Nov 07, 2025
Towards Routine Condensed Phase Simulations with Delta-Learned Coupled Cluster Accuracy: Application to Liquid Water.Niamh O'Neill, Benjamin X Shi, William J Baldwin
|Nov 22, 2024
Introduction to machine learning potentials for atomistic simulations.Fabian L Thiemann, Niamh O'Neill, Venkat Kapil
|Oct 17, 2024
Crumbling crystals: on the dissolution mechanism of NaCl in water.Niamh O'Neill, Christoph Schran, Stephen J Cox
|May 31, 2024
To Pair or not to Pair? Machine-Learned Explicitly-Correlated Electronic Structure for NaCl in Water.Niamh O'Neill, Benjamin X Shi, Kara Fong
|Apr 09, 2024
The Interplay of Solvation and Polarization Effects on Ion Pairing in Nanoconfined Electrolytes.Kara D Fong, Barbara Sumić, Niamh O'Neill
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Frequent Collaborators
6 joint publications
Christoph Schran
6 joint publications
Angelos Michaelides
3 joint publications
Benjamin X Shi
2 joint publications
Kara Fong
2 joint publications
Clare P Grey
2 joint publications
Venkat Kapil
2 joint publications
William J Baldwin
2 joint publications
Gábor Csányi
1 joint publications
Stephen J Cox
1 joint publications
Fabian L Thiemann
