Web Articles

  • wave-like theoretical model for the van der Waals force

Making waves on Mira

In a recent study published in Science, results from Mira supercomputer simulations validate a new “wave-like” model of the van der Waals force—a weak attraction that has strong ties to function and stability in materials and biological systems. One of the study’s lead authors, Robert A. DiStasio Jr. of Cornell University, is an Argonne Leadership Computing Facility user who develops computational methods for simulating bonded and non-bonded interactions between atoms in realistic systems, notably water, the basic ingredient of many of the materials we use and biological systems we rely upon.

May 02, 2016
  • Visualization of primate tooth

ALCF’s new data science program targets “big data” problems

The Argonne Leadership Computing Facility (ALCF), a DOE Office of Science user facility, is now accepting proposals for the 2016 ALCF Data Science Program (ADSP). The new initiative is targeted at “big data” science problems that require the scale and performance of leadership computing resources.

April 22, 2016
  • SCSW students tour ALCF

Argonne event encourages young women to pursue careers in STEM

For Argonne’s 29th annual Science Careers in Search of Women (SCSW conference), approximately 300 female high school students from across the Chicago area visited the laboratory for a day of panels, tours, career booth exhibits, and mentoring. As part of the event, ALCF staff led the young women on a tour of the facility and provided a crash course on how supercomputers are used to enable scientific breakthroughs.

April 21, 2016

Engine design takes a major leap at Argonne

ALCF researchers collaborated with the VERIFI team to complet development of engineering simulation code and workflows that will allow as many as 10,000 engine simulations to be conducted simultaneously on Mira.

April 08, 2016
  • Interaction of cytoplasmic domains in the calcium pump of sarscoplasmic reticulum

Multiyear simulation study provides breakthrough in membrane protein research

Over the past decade, University of Chicago professor and INCITE investigator Benoît Roux has made great strides in biochemistry using Argonne Leadership Computing Facility resources. One of his recent discoveries fills in essential information inaccessible to experimentalists, and potentially crucial to new therapeutic drug design.

April 05, 2016
  • 2017 INCITE

INCITE Seeking Proposals to Advance Science and Engineering at U.S. Leadership Computing Facilities

The Department of Energy’s Innovative and Novel Computational Impact on Theory and Experiment (INCITE) program will be accepting proposals for high-impact, computationally intensive research campaigns in a broad array of science, engineering and computer science domains. The INCITE program, along with the two LCF centers, will host instructional proposal writing webinars on April 13 and on May 19.

April 01, 2016

Software optimized on Mira advances design of mini-proteins for medicines, materials

Scientists at the University of Washington are using Mira to virtually design unique, artificial peptides, or short proteins. Peptides have the best properties of two different classes of medical drugs today and could enable future, peptide-based medicines with few side effects. As researchers begin to develop new peptides, they are optimizing their in-house software to test thousands of potential peptide structure designs in tandem, requiring a state-of-the-art supercomputer.

February 13, 2016
  • 10 years

10 science highlights celebrating 10 years of Argonne Leadership Computing Facility

This week, the Argonne Leadership Computing Facility, a DOE Office of Science User Facility, turns one decade old. ALCF is home to Mira, the world’s fifth-fastest supercomputer, along with teams of experts that help researchers from all over the world perform complex simulations and calculations in almost every branch of science. To celebrate its 10th anniversary, we’re highlighting 10 accomplishments since the facility opened its doors.

February 02, 2016
  • Bill Gropp works with students during ATPESC 2015

Argonne Training Program on Extreme-Scale Computing Scheduled for July 31-August 12, 2016

Computational scientists now have the opportunity to apply for the upcoming Argonne Training Program on Extreme-Scale Computing (ATPESC), to take place from July 31-August 12, 2016.

January 25, 2016
  • This image shows trapped and passing electrons carried in the bootstrap current of a tokamak

Mira supercomputer simulations give a new “edge” to fusion research

Using Mira, physicists from Princeton Plasma Physics Laboratory uncovered a new understanding about electron behavior in edge plasma. Based on this discovery, improvements were made to a well-known analytical formula that could enhance predictions of and, ultimately, increase fusion power efficiency. 

January 19, 2016