The Exascale Computing Project has concluded. This site is retained for historical references.

Application: chemical-sciences

More-Effective Medicines, Better Batteries, and Greater Control over 3D Parts Creation Could Come in the Era of Exascale Computing

09/14/20 The Exascale Computing Project is building scientific instruments for the gamut of computing devices to advance scientific knowledge and materials design and energy generation.

Comprehensive Molecular Dynamics Capability

03/14/19 The EXAALT project is working to improve molecular dynamics codes and prepare them to exploit the power and performance of exascale.

LBNL, PNNL Researchers Make NWChem’s Planewave “Purr”

04/15/17 LBNL, PNNL Researchers Make NWChem’s Planewave “Purr” on Intel’s Knights Landing Architectures A team of researchers at the Lawrence Berkeley National Laboratory (Berkeley Lab), Pacific Northwest National Laboratory (PNNL)