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

Manylion Llyfryddiaeth
Prif Awdur: Tomacruz, Jan Goran T. (Awdur)
Awduron Eraill: Joey D. Ocon (adviser.), Padama, Allan Abraham B. (adviser.)
Fformat: Traethawd Ymchwil
Iaith:English
Cyhoeddwyd: Quezon City College of Engineering, University of the Philippines Diliman 2022.
Pynciau:
Density functionals.
Machine learning.
Mynediad Ar-lein:Abstract