The NWChem computational chemistry software package was designed more than 20 years ago to run parallel computational chemistry simulations on thousands of processors.
ECP software project
PROTEAS-TUNE
PROTEAS-TUNE is a multi-institutional ECP software technology project spanning the topics of compilers, code generation, auto-tuning, and profiling.
ECP ALPINE: Algorithms and Infrastructure for In Situ Visualization and Analysis
Gunther Weber of the Data Analytics and Visualization Group in CRD is a member of the team.