Research output per year
Research output per year
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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.
- 1 Similar Profiles
Collaborations and top research areas from the last five years
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Research output
- 5 Article
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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 AccessFile2 Citations (Scopus)28 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 AccessFile2 Citations (Scopus)131 Downloads (Pure) -
Competing nuclear quantum effects and hydrogen-bond jumps in hydrated kaolinite
Kurapothula, P. K. J., Shepherd, S. & Wilkins, D. M., 16 Feb 2023, In: Journal of Physical Chemistry Letters. 14, 6, p. 1542–1547 6 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile1 Citation (Scopus)92 Downloads (Pure) -
Hydrogen-bonding and nuclear quantum effects in clays
Kurapothula, P. K. J., Shepherd, S. & Wilkins, D. M., 22 Feb 2022, In: Journal of Chemical Physics. 084702.Research output: Contribution to journal › Article › peer-review
Open AccessFile2 Citations (Scopus)263 Downloads (Pure) -
Efficient Quantum Vibrational Spectroscopy of Water with HighOrder Path Integrals: From Bulk to Interfaces
Shepherd, S., Lan, J., Wilkins, D. M. & Kapil, V., 15 Sept 2021, (Early online date) In: Journal of Physical Chemistry Letters. 12, p. 9108-9114 7 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile22 Citations (Scopus)133 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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