Computational/data chemist, occasional philosopher/mathematician |
Asst. Prof., University College Dublin |
Adjunct Prof., Carnegie Mellon University
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@CoReACTER, University College Dublin, Carnegie Mellon University
- Dublin, Ireland
- https://ewcss.info
- https://orcid.org/0000-0003-1554-197X
- @ewcss.info
- @coreacter.org
- @ewcspottesmith@mastodon.online
Popular repositories Loading
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deliberate
deliberate PublicdeLIBErate is a repository of code to assist in the use and analysis of the Lithium-Ion Battery Electrolyte (LIBE) dataset.
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RAPTER-eggs
RAPTER-eggs PublicScripts to construct the RAPTER (ReActants, Products, and Transition-states of Elementary Reactions) and associated RAPTER-tracks and RAPTER-kettle datasets
Python 3
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hydrobench
hydrobench PublicCode and data for a benchmark study of hydrolysis energy barriers using density functional theory
Python 2
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pyGSM
pyGSM PublicForked from ZimmermanGroup/pyGSM
Thermal and photochemical reaction path optimization and discovery
Python 1
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