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

מידע ביבליוגרפי
מחבר ראשי: Tomacruz, Jan Goran T. (Author)
מחברים אחרים: Joey D. Ocon (adviser.), Padama, Allan Abraham B. (adviser.)
פורמט: Thesis
שפה:English
יצא לאור: Quezon City College of Engineering, University of the Philippines Diliman 2022.
נושאים:
Density functionals.
Machine learning.
גישה מקוונת:Abstract