Research output per year
Research output per year
Personal profile
Education/Academic qualification
Master of Chemistry, MChem Chemistry with Drug Discovery, University Of Strathclyde
4 Sept 2016 → 30 Jun 2021
Award Date: 30 Jun 2021
Keywords
- computational chemistry
- Density functional theory; molecular dynamics
Fingerprint
Dive into the research topics where Ross Urquhart is active. These topic labels come from the works of this person. Together they form a unique fingerprint.
- 1 Similar Profiles
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Application of neural network potentials to modelling transition states
Urquhart, R. J., van Teijlingen, A. & Tuttle, T., 31 Jul 2025, In: Chemical Communications. 61, 63, p. 11810-11813 4 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile12 Downloads (Pure) -
ANI neural network potentials for small molecule pKa prediction
Urquhart, R. J., van Teijlingen, A. & Tuttle, T., 29 Aug 2024, (E-pub ahead of print) In: Physical Chemistry Chemical Physics. 26, 36, p. 23934-23943 10 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile2 Citations (Scopus)40 Downloads (Pure)
Datasets
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Data for "Application of Neural Network Potentials to Modelling Transition States"
Urquhart, R. (Creator), Tuttle, T. (Supervisor) & van Teijlingen, A. (Contributor), University of Strathclyde, 6 Jun 2025
DOI: 10.15129/5c703b29-b0b8-4086-b261-af141d07e178
Dataset
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Data for: "ANI neural network potentials for small molecule pKa prediction"
Urquhart, R. (Creator), van Teijlingen, A. (Creator) & Tuttle, T. (Supervisor), University of Strathclyde, 2 Sept 2024
DOI: 10.15129/8e3a4b33-c787-43d6-afbb-0c1a9a975af8
Dataset