Seán Kavanagh
kavanaghsean.bsky.social
https://sam-lab.net Computational chemist, physicist, material scientist? Who knows... Asst Prof in Simulation of Energy Materials at the University of Cambridge (Chemistry) Formerly Environmental Fellow @harvard.edu
👤 Joined on 21 November 2024
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- 21 Kas 2024, 17:59
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We’re proud to recognize Seán Kavanagh (University of Cambridge, UK) as the 2025 Wiley Research Heroes Open Science Advocate Prize winner. This award celebrates leadership in advancing open, transparent, and collaborative research. 🎥 Learn more: https://ow.ly/np4z50YmwQq
Show PostCongratulations! Well deserved.
Show PostCongratulations to the 2025 Wiley Research Heroes! 🎉 Recognizing researchers making science more inclusive, innovative, and impactful worldwide. Learn more about the winners. 🔗: https://ow.ly/l5es50Y0hXA #WileyResearchHeroes
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I think for me, the main issue that makes it hard to implement for automation and reproducibility is handling edge cases, which are common. Even doped is far from fool-proof and requires a lot of on-the-fly application of domain knowledge to get useful results.
Show PostAnd because the problem is full of coupled calculations, one poorly described defect might throw out your quantitative thermodynamics completely
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