Last July 16, Prof. Allan Padama of University of the Philippines Los Baños conducted a whole-day workshop on density functional theory (DFT). Both members of LEE and Prof. Padama’s lab group from the UPLB Institute of Mathematical Sciences and Physics attended the workshop.
The first half of the workshop consisted of an introductory lecture on DFT. Basic principles and workings of the theory were discussed.
In the latter half, a hands-on activity using the open-source DFT software Quantum Espresso was held. Participants performed basic DFT calculations on pure solids and diatomic molecules.
With the workshop, the laboratory aims to train its members in utilizing first-principle methods to identify potential catalysts for oxygen reduction reactions.
Prof. Allan B. Padama is an associate professor at the University of the Philippines Los Baños. He graduated B.S. Physics for Teachers from the Philippine Normal University in 2004 and took his M.E. and Ph.D. Engineering degrees from Osaka University in 2011 and 2014. His research interests include DFT and surface reactions, catalysis, and materials design.