Number of items: 3.
2023
Sosso, Gabriele C. and Barnard, Trent
(2023)
Combining machine learning and molecular simulations to predict the stability of amorphous drugs.
Journal of Chemical Physics, 159
(1).
014503.
doi:10.1063/5.0156222
ISSN 0021-9606.
González-Jiménez, Mario, Barnard, Trent, Russell, Ben A., Tukachev, Nikita V., Javornik, Uroš, Hayes, Laure-Anne, Farrell, Andrew J., Guinane, Sarah, Senn, Hans M., Smith, Andrew J., Wilding, Martin, Mali, Gregor, Nakano, Motohiro, Miyazaki, Yuji, McMillan, Paul, Sosso, Gabriele C. and Wynne, Klaas
(2023)
Understanding the emergence of the boson peak in molecular glasses.
Nature Communications, 14
.
215.
doi:10.1038/s41467-023-35878-6Â
ISSN 2041-1723.
Barnard, Trent, Tseng, Steven, Darby, James, Bartók, Albert P., Broo, Anders and Sosso, Gabriele C.
(2023)
Leveraging genetic algorithms to maximise the predictive capabilities of the SOAP descriptor.
Molecular Systems Design & Engineering
.
doi:10.1039/D2ME00149G
ISSN 2058-9689.
This list was generated on Wed Apr 24 00:57:13 2024 BST.