NSF/CECAM School on Computational Materials Science: From Basics to Applications – Lausanne, July 17 – July 27, 2017

This school covered the full range from fundamental concepts in density-functional theory (DFT) to its application in materials science. A significant gap exists between fundamental DFT researchers, who work on development of methodology, and applied DFT researchers trained in specific application areas. This gap was addressed. An international slate of invited invited speakers was selected whose research spans the broad spectrum of DFT related topics like:

• the development of DFT methods,
• the direct use of DFT to solve problems in materials science,
• the integration of DFT methods into multi-scale modeling involving theory,
• empirical force-field development, and simulations.

The school brought together students from the National Science Foundation (NSF) research traineeship program for data-enabled science and engineering (NRT- DESE): “Computational Materials Education and Training: Bridging ab initio methods and applications (COMET)” with European students.