Aurora Early Science Program: Speeding Up Discovery of New Catalysts for Clean Energy
Aurora Early Science Program: Speeding Up Discovery of New Catalysts for Clean Energy
Aurora Early Science Program: Speeding Up Discovery of New Catalysts for Clean Energy
The QMCPACK project intends to provide the capability to find, predict, and control materials and properties at the quantum level.
ECP's Data and Visualization portfolio is delivering data management software to store, save state, share, and facilitate the analysis of exascale data.
The EXAALT project could bring atomistic materials predictions to the engineering scale and demystify materials design and synthesis.
Machine learning, artificial intelligence, and data analytics are converging with high-performance computing to advance scientific discovery.
A collaborative team is working to get NWChem ready to run on exascale machines and to provide a starting point for future code development.
The EXAALT project has made a big step forward with a five-fold performance advance in addressing its fusion energy materials simulations challenge problem.
ECP has assembled a team of experts to prepare simulation software to find, predict, and control materials and properties at the quantum level.
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.
Tom Evans, technical lead for ECP's Energy Applications projects, shares about the motivations, progress, and aspirations on the path to the exascale.
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.
The EXAALT project is working to improve molecular dynamics codes and prepare them to exploit the power and performance of exascale.
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.
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.
The insideHPC blog reports on the new podcast that explores the activities, challenges, accomplishments, and science impact of the Exascale Computing Project.
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).
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.