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Theory and methods to enable routine materials discovery and design

 


The Quantum Theory of Materials (qToM) group is based at the School of Physics of Trinity College Dublin, The University of Dublin.

Headed up by principal investigator David O’Regan, we work to develop a better computational description of electron interactions in materials of technological interest.

This website is our digital hub—here you can learn more about what we do, meet our group members, engage with our science, and find out how to contact us.

 

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A tribute to the primary school science fair, here’s a selection of our recent posters. For a list of our conference presentations and contributions, head to our Presentations page or our Google Scholar sites, embedded in the Outputs page.

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Click on a poster to zoom in.

  • Lórien MacEnulty | 3 Minute Thesis Finalist Competition | Awards: People’s Choice and Runner Up | Trinity College Dublin | March 10, 2022
  • Lórien MacEnulty | 5th Quantum Oxide Research Online Meeting | Virtual | November 2021
  • David O’Regan | qToM Research Poster
  • David Gavin | ICTP Computational School on Electronic Excitations in Novel Materials Using the Yambo Code | Trieste, Italy | January 2020
  • David Gavin | Mini Total Energy 2021 | San Sebastian, Spain | January 2020
  • Lórien MacEnulty | Psi-k Conference 2022 | Lausanne, CH | August 2022
  • Lórien MacEnulty | MRS Spring Meeting | Virtual | March 2021
Presentations
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