Basic Energy Sciences (BES)

Supporting Scientific Discovery and Data Analysis in the Exascale Era

ECP's Data and Visualization portfolio is delivering data management software to store, save state, share, and facilitate the analysis of exascale data.

Collaborative Strength Enables the EXAALT Project to Optimize GPU Performance

The EXAALT project could bring atomistic materials predictions to the engineering scale and demystify materials design and synthesis.

Delivering Exascale Machine Learning Algorithms and Tools for Scientific Research

Machine learning, artificial intelligence, and data analytics are converging with high-performance computing to advance scientific discovery.

Rewriting a Legacy Computational Chemistry Software Package for Larger Simulations and Exascale Speed

A collaborative team is working to get NWChem ready to run on exascale machines and to provide a starting point for future code development.

ECP Team Reengineers Materials Simulation Code, Achieves Atypical Performance Increase

The EXAALT project has made a big step forward with a five-fold performance advance in addressing its fusion energy materials simulations challenge problem.

Robustly Delivering Highly Accurate Computer Simulations of Complex Materials

ECP has brought together experts to prepare simulation software for finding, predicting.

CEED’s Impact on Exascale Computing Project (ECP) Efforts is Wide-Ranging

ECP's Center for Efficient Exascale Discretizations is helping applications leverage future architectures by developing state-of-the-art discretization algorithms that better exploit the hardware and deliver a significant performance gain over conventional methods.

Exascale Computing Could Drastically Boost the Capabilities of Energy Applications

Tom Evans, technical lead for ECP's Energy Applications projects, shares about the motivations, progress, and aspirations on the path to the exascale.

A Potential Revolution for X-Ray Free-Electron Laser Facilities

Higher resolution and deeper insight along with much faster information delivery are ways exascale computing could improve imaging at X-ray free-electron laser facilities.

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.

Transforming Combustion Science and Technology with Exascale Simulations

ECP's Combustion-Pele project involves predictive simulation of in-cylinder combustion processes to explore the potential for groundbreaking efficiencies while limiting the formation of pollutants. Combustion-Pele's principal investigator, Jackie Chen, is guest on the Let's Talk Exascale podcast.

Getting Ready to Model Molecular Properties at Exascale with NWChemEx

Many of the phenomena in our daily lives are controlled by molecular processes. An example is the performance of automobile engines. Software called NWChem, or Northwest Chem, can tell researchers a lot about fuel combustion and many other molecular systems. Here about NWChemEx for exascale on Let's Talk Exascale.

ECP Launches “Let’s Talk Exascale” Podcast Series

The insideHPC blog reports on the new podcast that explores the activities, challenges, accomplishments, and science impact of the Exascale Computing Project.

Making Components of GAMESS Software More Scalable

Mark Gordon, Ames Laboratory Associate and Distinguished Professor at Iowa State University, spoke with ECP Communications at SC17 in Denver about the ECP project he leads, called General Atomic and Molecular Electronic Structure System (GAMESS).

Extending the Reach of Molecular Dynamics Simulations by Leveraging Exascale

Danny Perez of Los Alamos National Laboratory (LANL) spoke with ECP Communications at SC17 in Denver. Perez is a member of the Exascale Atomistic Capability for Accuracy, Length, and Time (EXAALT) project team, led by Principal Investigator Arthur Voter, also of LANL.

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