Research output per year
Research output per year
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Dive into the research topics where Toby Lewis-Atwell is active. These topic labels come from the works of this person. Together they form a unique fingerprint.
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Collaborations and top research areas from the last five years
Recent external collaboration on country/territory level. Dive into details by clicking on the dots or
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Reformulating Reactivity Design for Data-Efficient Machine Learning
Lewis-Atwell, T., Beechey, D., Şimşek, Ö. & Grayson, M., 20 Oct 2023, In: ACS Catalysis. 13, 20, p. 13506–13515 10 p.Research output: Contribution to journal › Article › peer-review
Open Access1 Citation (SciVal) -
Comparing the Performances of Force Fields in Conformational Searching of Hydrogen-Bond-Donating Catalysts
Lewis-atwell, T., Townsend, P. A. & Grayson, M. N., 6 May 2022, In: Journal of Organic Chemistry. 87, 9, p. 5703–5712 10 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile4 Citations (SciVal)221 Downloads (Pure) -
Machine learning activation energies of chemical reactions
Lewis-Atwell, T., Townsend, P. A. & Grayson, M. N., 7 Jul 2022, In: WIREs Computational Molecular Science. 12, 4, e1593.Research output: Contribution to journal › Review article › peer-review
Open AccessFile33 Citations (SciVal)224 Downloads (Pure) -
Comparisons of Different Force Fields in Conformational Analysis and Searching of Organic Molecules: A Review
Lewis-Atwell, T., Townsend, P. A. & Grayson, M. N., 22 Jan 2021, In: Tetrahedron. 79, 131865.Research output: Contribution to journal › Review article › peer-review
Open AccessFile33 Citations (SciVal)937 Downloads (Pure)
Datasets
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Dataset for "Reformulating Reactivity Design for Data-Efficient Machine Learning"
Lewis-Atwell, T. (Creator), Beechey, D. (Creator), Şimşek, Ö. (Creator) & Grayson, M. (Creator), University of Bath, 6 Oct 2023
DOI: 10.15125/BATH-01240, https://github.com/the-grayson-group/finding_barriers
Dataset
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Dataset for "Comparing the Performances of Force Fields in Conformational Searching of Hydrogen Bond-Donating Catalysts"
Lewis-Atwell, T. (Creator), Townsend, P. (Creator) & Grayson, M. (Creator), University of Bath, 27 Apr 2022
DOI: 10.15125/BATH-01065
Dataset