Machine Learning-accelerated Density Functional Theory (ML-DFT) screening of bimetallic transition metal surfaces based on single-atom adsorption energy predictions

Machine Learning-accelerated Density Functional Theory (ML-DFT) screening of bimetallic transition metal surfaces based on single-atom adsorption energy predictions

Sonraí bibleagrafaíochta
Príomhchruthaitheoir: Tomacruz, Jan Goran T. (Údar)
Rannpháirtithe: Joey D. Ocon (adviser.), Padama, Allan Abraham B. (adviser.)
Formáid: Tráchtas
Teanga:English
Foilsithe / Cruthaithe: Quezon City College of Engineering, University of the Philippines Diliman 2022.
Ábhair:
Density functionals.
Machine learning.
Rochtain ar líne:Abstract