The DOE SC program in Basic Energy Sciences (BES) announces its interest in receiving applications from single principal investigators (PIs), small groups (2-3 PIs), and centers (integrated multidisciplinary teams typically from multiple institutions) in Computational Chemical Sciences (CCS).
will support efforts to develop validated, public access codes and databases, and research to develop new approaches to enhance the use of large data sets for deriving new fundamental knowledge from calculations and advanced characterization of chemical systems.
CCS will continue to support the DOE Exascale Computing Initiative (ECI), which was announced in September 201 3. The ECI aims to accelerate the research and development needed to overcome key exascale challenges and maximize benefits of high-performance computing.
This FOA continues the BES commitment to ECI by developing open source codes that can take full advantage of today’s petascale and future exascale leadership computing facilities.