Dr Vitaliy Kurlin: mathematics & computer science

Data Science theory and applications. Everything is possible!

E-mail: vitaliy.kurlin(at)gmail.com, University of Liverpool, UK

Computer-aided Materials Science project based on papers in

Chemical Science 2021   Chemistry of Materials 2020  

One class classification for co-crystal discovery

1-class-classification
  • Aikaterini Vriza, Angelos Canaj, Rebecca Vismara, Laurence Cook, Troy Manning, Michael Gaultois, Peter Wood, Vitaliy Kurlin, Neil Berry, Matthew Dyer and Matthew Rosseinsky
  • One class classification as a practical approach for accelerating π-π co-crystal discovery.
  • Chemical Science, to appear in 2021.
  • PDF [18 pages, 2.7M]   url [official link]

Back to Top of this page | Back to Research & papers | Back to Home page

The Earth Mover’s Distance for Inorganic Compositions

earth-mover's-distance earth-mover's-distance
  • Cameron Hargreaves, Matthew Dyer, Michael Gaultois, Vitaliy Kurlin, Matthew Rosseinsky.
  • The Earth Mover’s Distance as a Metric for the Space of Inorganic Compositions.
  • Chemistry of Materials, volume 32, issue 24 (December 2020).
  • PDF [11 pages, 3.5M]   PDF [appendices, 3.1M]   url [official link]   url [preprint]

Back to Top of this page | Back to Research & papers | Back to Home page