Objectives: Education and outreach to the computational materials community.

Approach: Two-week Summer School (organized by Johnson, Kim, and Martin) offering a hands-on introduction to electronic structure and thermodynamics calculations of real materials. The School was held June 13-23, on the Illinois campus. Lecturers were: Don R. Hamann, (Bell Labs, Rutgers), Richard M. Martin (UIUC), Miguel Pruneda (Cambridge), and Gus Hart (ASU), Duane D. Johnson (UIUC), Dane Morgan (Wisconsin), Anton van der Ven (Michigan), and Axel van der Walle (Northwestern).

Significant results: Participants learned how to apply knowledge to real systems and gained hands-on experience using a variety of key tools: TBPW, ABINIT, SIESTA, ATAT, often led by the software developers themselves. Participants met and worked with other interested researchers at different levels and varied backgrounds. Presentations (audio, video, and slides, synchronized by DoD) will be available on the web. A Web archive leverages time and expertise of the speakers, and enables off-site researchers to view and use the school materials.

See www.mcc.uiuc.edu/summerschool/2005.

Working together: “Teamwork in a lab truly encourages networking.” Amy Berta (UW-Madison) and Federico Iori (University of Modena-Reggio Emilia, Italy) work on a tutorial problem during the second week of instruction.

Materials Computation Center, University of IllinoisDuane D. Johnson and Richard Martin, NSF DMR-03-25939

2005 Summer School: Electronic-Structure and Cluster-Expansion Thermodynamics for Real MaterialsDuane D. Johnson, Jeongnim Kim, Richard M. Martin (PI)

Significant results: The 78 participants of the two-week school included 61 US-based and 17 international participants. There were 13 women and 65 men from 40 institutions, comprising 68 graduate students, 6 post-docs, and 4 faculty. Three participants are Hispanic and one is

African.