Följ
Niamh O'Neill
Niamh O'Neill
PhD student, University of Cambridge
Verifierad e-postadress på cam.ac.uk
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A foundation model for atomistic materials chemistry
I Batatia, P Benner, Y Chiang, AM Elena, DP Kovács, J Riebesell, ...
arXiv preprint arXiv:2401.00096, 2023
1922023
To pair or not to pair? Machine-learned explicitly-correlated electronic structure for NaCl in water
N O’Neill, BX Shi, K Fong, A Michaelides, C Schran
The Journal of Physical Chemistry Letters 15 (23), 6081-6091, 2024
152024
The interplay of solvation and polarization effects on ion pairing in nanoconfined electrolytes
KD Fong, B Sumic, N O’Neill, C Schran, CP Grey, A Michaelides
Nano Letters 24 (16), 5024-5030, 2024
132024
Crumbling crystals: on the dissolution mechanism of NaCl in water
N O'Neill, C Schran, SJ Cox, A Michaelides
Physical Chemistry Chemical Physics 26 (42), 26933-26942, 2024
112024
Introduction to machine learning potentials for atomistic simulations
FL Thiemann, N O’neill, V Kapil, A Michaelides, C Schran
Journal of Physics: Condensed Matter 37 (7), 073002, 2024
12024
Dynamics and nano-rheology of interfacial water: general discussion
XR Advincula, KE Blow, M Bonn, AT Bui, Y Cheng, SJ Cox, F Della Pia, ...
Faraday Discussions 249, 243-266, 2024
2024
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Artiklar 1–6