New Mathematics for the Exascale: Applications to Materials Science

The aim of this program is to foster the development of new mathematical tools and formalisms that will enable a new generation of ultra-scalable algorithms for a broad range of applications in computational materials science. Topics of interest will include strategies for scalable single-scale simulations, novel massively-parallel scale-bridging algorithms, and integration of extreme-scale computing into experimental and data science workflows. The program will bring together applied mathematicians, materials scientists, computer scientists, and method developers interested in unlocking the potential of upcoming exascale architectures through novel mathematical approaches.