New Mathematics for the Exascale - Applications to Materials Science Tutorials 2023

Explore cutting-edge computational mathematics and materials science through this comprehensive tutorial series spanning nearly 14 hours across four intensive days. Gain foundational knowledge in density functional theory (DFT) with detailed coverage of theoretical principles and practical applications. Master multiscale modeling approaches that bridge different length and time scales in materials simulation. Delve into molecular dynamics simulations with both fundamental concepts and advanced techniques for studying atomic-scale behavior. Learn acceleration techniques essential for high-performance computing applications and discover meso and macroscale modeling methods for larger-scale phenomena. Understand future exascale computing architectures and their implications for scientific computing, while acquiring practical skills in guiding application optimization for these next-generation systems. Examine the sociotechnical aspects of collaborative code development in large-scale scientific projects. Master complex computational workflows and their implementation strategies for materials science applications. Designed for researchers and practitioners with diverse scientific backgrounds, these tutorials provide essential preparation for advanced work in computational materials science at the exascale level, covering both theoretical foundations and practical implementation considerations for modern high-performance computing environments.