Enabling a new era of computational and scientific capabilities by advancing high-performance computing on an exponential scale.
- Timothy Germann
- Physics and Chemistry of Materials
- (505) 665-9772
Co-Design Center for Particle-Based Methods: From Quantum to Classical, Molecular to Cosmological
This co-design center will serve as a centralized clearinghouse for particle-based ECP applications, communicating their requirements and evaluating potential uses and benefits of ECP hardware and software technologies using proxy applications.
Particle-based simulation approaches are ubiquitous in computational science and engineering, and they involve the interaction of each particle with its environment by direct particle-particle interactions at shorter ranges and/or by particle-mesh interactions with a local field that is set up by longer-range effects.
Best practices in code portability, data layout and movement, and performance optimization will be developed and disseminated via sustainable, productive and interoperable co-designed numerical recipes for particle-based methods that meet the application requirements within the design space of software technologies and subject to exascale hardware constraints. The ultimate goal is the creation of scalable open exascale software platforms suitable for use by a variety of particle-based simulations.