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Yusuf Hamied Department of Chemistry

 

Niamh O'Neill

Publications

Introduction to machine learning potentials for atomistic simulations
FL Thiemann, N O'Neill, V Kapil, A Michaelides, C Schran
– J Phys Condens Matter
(2024)
37,
073002
(doi: 10.1088/1361-648x/ad9657)
Crumbling crystals: on the dissolution mechanism of NaCl in water.
N O'Neill, C Schran, SJ Cox, A Michaelides
– Phys Chem Chem Phys
(2024)
26,
26933
(doi: 10.1039/d4cp03115f)
Introduction to machine learning potentials for atomistic simulations
FL Thiemann, N O'Neill, V Kapil, A Michaelides, C Schran
(2024)
(link to publication)
To Pair or not to Pair? Machine-Learned Explicitly-Correlated Electronic Structure for NaCl in Water
O Niamh, S Benjamin, F Kara, A Michaelides, C Schran
– The Journal of Physical Chemistry Letters
(2024)
15,
6081
(doi: 10.1021/acs.jpclett.4c01030)
The Interplay of Solvation and Polarization Effects on Ion Pairing in Nanoconfined Electrolytes
KD Fong, B Sumić, N O'Neill, C Schran, CP Grey, A Michaelides
– Nano Letters
(2024)
24,
5024
(doi: 10.1021/acs.nanolett.4c00890)
The interplay of solvation and polarization effects on ion pairing in nanoconfined electrolytes
K Fong, B Sumic, N O'Neill, C Schran, C Grey, A Michaelides
(2024)
(doi: 10.26434/chemrxiv-2024-r67mx)
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
(2023)
(link to publication)
Crumbling Crystals: On the Dissolution Mechanism of NaCl in Water
N O'Neill, C Schran, SJ Cox, A Michaelides
(2022)
(link to publication)

Research Group

Telephone number

01223 336530 (shared)

Email address

nco24@cam.ac.uk

College

Churchill College

    Study at Cambridge

    About the University

    Research at Cambridge