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Dive into the research topics where Sam Shepherd is active. These topic labels come from the works of this person. Together they form a unique fingerprint.
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Research output
- 8 Article
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Removal of triclosan and bisphenol A from water by selected natural adsorbents
Lubarsky, H., Olanrewaju, T. O., Shepherd, S., Wilkins, D. M. & Phillips, D. H., 05 Jul 2026, In: Separation and Purification Technology. 394, Part 1, 17 p., 137281.Research output: Contribution to journal › Article › peer-review
Open AccessFile1 Link opens in a new tab Citation (Scopus)31 Downloads (Pure) -
Nuclear quantum effects of metal surface-mediated C–H activation
Bunting, R. J., Shepherd, S., Rampal, N., Akhade, S., Wilkins, D. M. & Pham, T. A., 14 Aug 2025, In: Physical Chemistry Chemical Physics . 27, 30, p. 16051-16056 6 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile1 Link opens in a new tab Citation (Scopus)50 Downloads (Pure) -
Transferability and expansion of the ClayNN model
Shepherd, S., Realpe, N. V., Tribello, G. A. & Wilkins, D. M., 17 Dec 2025, (Early online date) In: Molecular Simulation. 12 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile1 Link opens in a new tab Citation (Scopus)5 Downloads (Pure) -
Learning electronic polarizations in aqueous systems
Jana, A., Shepherd, S., Litman, Y. & Wilkins, D. M., 10 Jun 2024, In: Journal of Chemical Information and Modeling. 64, 11, p. 4426-4435 10 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile9 Link opens in a new tab Citations (Scopus)107 Downloads (Pure) -
A fully quantum-mechanical treatment for kaolinite
Shepherd, S., Tribello, G. A. & Wilkins, D. M., 28 May 2023, In: Journal of Chemical Physics. 158, 20, 204704 .Research output: Contribution to journal › Article › peer-review
Open AccessFile7 Link opens in a new tab Citations (Scopus)254 Downloads (Pure)
Datasets
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Clay Neural Network (ClayNN) Potentials
Shepherd, S. (Creator), Queen's University Belfast, 2023
https://github.com/sshepherd637/ClayNN
Dataset
Thesis
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Neural network interatomic potentials for kaolin minerals
Shepherd, S. R. (Author), Wilkins, D. (Supervisor) & Tribello, G. (Supervisor), Dec 2024Student thesis: Doctoral Thesis › Doctor of Philosophy
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