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 This site is retained for historical references.

Application: materials-science

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

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

Robustly Delivering Highly Accurate Computer Simulations of Complex Materials

ECP has assembled a team of experts to prepare simulation software to find, predict, and control materials and properties at the quantum level.

Comprehensive Molecular Dynamics Capability

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

National Nuclear Security Administration logo Exascale Computing Project logo small U.S. Department of Energy Office of Science logo