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

Λεπτομέρειες βιβλιογραφικής εγγραφής
Κύριος συγγραφέας: Tomacruz, Jan Goran T. (Συγγραφέας)
Άλλοι συγγραφείς: Joey D. Ocon (adviser.), Padama, Allan Abraham B. (adviser.)
Μορφή: Thesis
Γλώσσα:English
Έκδοση: Quezon City College of Engineering, University of the Philippines Diliman 2022.
Θέματα:
Density functionals.
Machine learning.
Διαθέσιμο Online:Abstract