Summer Schools

Funding for workshops

The MCC will consider proposals for workshops either held on the UIUC campus or workshops organized jointly with Psi-K or CECAM.

Workshops

2005 Summer School on Computational Materials Science

Hands-on introduction to Electronic Structure and Thermodynamics Calculations of Real Materials

Held June 13-24, 2005 at the University of Illinois at Urbana-Champaign

Summer School 2005 icon School format includes lectures and hands-on computer labs. On Monday, June 13, 2005, there was an afternoon review session on Unix fundamentals and on compilers used in the lab. The instructional level of the school will be appropriate to graduate students and post-docs, and will include both lectures and computer laboratories. Additional information includes web photo gallery, maps, etc.

When available, the videos are in the RealPlayer format.

Topics and presenters, in chronological order

Updated November 11, 2005

Topics and presenters, in chronological order
Date and Topic	Presenter name	Link to the presentation file
Week 1	Richard M. Martin University of Illinois	Overview of Electronic Structure theory and methods including Density Functional Theory (Lecture Video, .smi)
	Donald R. Hamann Bell Labs and Rutgers	Hands-on introduction to the plane wave pseudopotential code ABINIT using the ABINIT (Lecture Video, .smi) (Lecture Video, .smi)
	J. Miguel Alonso-Pruneda Institut de Ciencia de Materials de Barcelona	Hands-on introduction to the local orbital pseudopotential code SIESTA for electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids (Lecture Video, .smi) (Lecture Video, .smi)
Week 2	Duane D. Johnson & Nikolai Zarkevich University of Illinois	1) Alloy Electronic Structure, Structural Formation Energies, and Preliminaries of Cluster Expansion Hamiltonians (Lecture Video, .smi) 2) Improving Accuracy of Thermodynamics predicted from Multi-scale methods by Global Data integration (Lecture Video, .smi)
	Gus Hart Northern Arizona University	1) Constructing Cluster Expansions for Size-Mismatched Systems (Lecture Video, .smi) 2) Genetic Algorithm Strategy for Cluster Expansions (Lecture Video, .smi)
	Axel van der Walle Northwestern University	ATAT - A software toolkit for modeling coupled configurational and vibrational disorder in alloy systems (Lecture Video, .smi)
	Dane Morgan University of Wisconsin	Thermodynamics, Phase Diagrams, and the Cluster Expansion (Lecture Video, .smi) (Lecture Video, .smi)
	Anton van der Ven University of Michigan	Diffusion in Alloys via the Cluster Expansion (Lecture Video, .smi)

Sponsors & Organizers

The Summer School is held at University of Illinois at Urbana-Champaign campus and is sponsored in part by:

The Summer School Committee was Duane D. Johnson, Jeongnim Kim, and Richard Martin.