First-principles calculations have become essential tools for understanding and predicting the properties of materials. Methods such as Density Functional Theory (DFT) connect quantum mechanics directly to real materials. They allow researchers to predict structural, electronic, and magnetic properties from fundamental physical laws, with applications in energy storage, catalysis, electronics, and emerging technologies. Because these methods require minimal experimental infrastructure, they offer an effective route to internationally competitive research in resource-limited settings.

Access to structured training in these methods remains uneven across the Philippines. Many students in physics, chemical physics, and materials science complete their degrees with strong quantum mechanics foundations but little practical exposure to modern computational materials science.

This five-day school aims to help close that gap. It combines lectures from introductory to advanced level, hands-on tutorials, and guided computational exercises. Participants will learn the theory behind first-principles methods and gain practical experience in setting up, running, and analyzing DFT calculations.

The school will also discuss how these methods apply to sustainable technologies, including batteries, green energy, and bioenergy. A careers and opportunities session will round out the programme.

Main Topics

• Fundamentals of Density Functional Theory and exchange-correlation functionals
• Electronic structure and band theory
• Spin, spin-orbit coupling, and magnetism
• Structural optimization
• Phonons
• Applications for sustainable technologies
• Guided computational exercises

Target Participants
The school is primarily intended for senior undergraduate students, graduate students, and early-career researchers and faculty in physics, chemical physics, materials science, and related disciplines.

Applications from universities and research institutions across the Philippines are encouraged.

Organizers

• Alexandra B. Santos-Putungan, UP Los Baños, Philippines
• Natasa Stojic, ICTP, Italy
• John Lawrence Euste, ICTP-SISSA, Italy
• Darwin B. Putungan, UP Los Baños, Philippines
• Ricky B. Nellas, UP Diliman, Philippines

Lecturers

• John Lawrence Euste, ICTP-SISSA, Italy
• Nica Jane B. Ferrer, UP Los Baños, Philippines
• Gennevieve M. Macam, UP Diliman, Philippines
• Ricky B. Nellas, UP Diliman, Philippines
• Francis Norman C. Paraan, UP Diliman, Philippines
• Allan Abraham B. Padama, UP Los Baños, Philippines
• Darwin B. Putungan, UP Los Baños, Philippines
• Natasa Stojic, ICTP, Italy

The school is co-sponsored by the Office of International Linkages of the University of the Philippines System and by the College of Arts and Sciences, UPLB.