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XSEDE IMPACT June 2019

 

 

 
June 2019 | Science Highlights, Announcements & Upcoming Events
 
XSEDE helps the nation's most creative minds discover breakthroughs and solutions for some of the world's greatest scientific challenges. Through free, customized access to the National Science Foundation's advanced digital resources, consulting, training, and mentorship opportunities, XSEDE enables you to Discover More. Get started here.
 
Science Highlights
 
XSEDE-allocated resources power population genomics study
 
Comet, Jetstream, Bridges run millions of genomic simulations assisted by the Open Science Grid
 
 
Using multiple supercomputers allocated by XSEDE as well as the NSF-funded Open Science Grid, researchers at the University of Arizona recently published results of a detailed population genomics study that involved running millions of genomic simulations, to show a substantial breakthrough in the demographic history of Ashkenazi Jews.
 
The study, published in a recent issue of Molecular Biology and Evolution , focused on Ashkenazi Jewish subpopulations from Eastern and Western/Central Europe and what led to their genetic differentiation.
 
"Using computational capabilities provided by XSEDE, we were able to perform millions of genomic simulations at an unprecedented chromosome-size scale, allowing us to use large chunks of the genome to learn about the population's history," said Ariella Gladstein, first-author of the study.
 
 
Three modeled demographic histories of the Ashkenazi Jewish (AJ) population as outlined in the Molecular Biology and Evolution journal. The Null Model has no substructure within the AJ population, and was found to be highly unlikely. The Substructure model has a population split between Eastern and Western Ashkenazi Jews and one common admixture event from Europeans; the researchers found this model to be the best fit in their study. The Substructure with Differential Admixture model was favored, showing separate admixture events from the Europeans. Populations are labeled as E (European); AJ, (Ashkenazi Jews); EAJ (Eastern Ashkenazi Jews); WAJ (Western Ashkenazi Jews); J (Sephardic/Mizrahi Jews); ME (Middle Eastern). Credit: A. Gladstein and M. Hammer, 2019
 
Dangerous curves ahead
 
Machine learning enables scientists to spot "comma-shaped clouds," extreme weather
 
 
Meteorologists can get time-critical help in spotting dangerous cloud formations using artificial intelligence (AI), according to scientists at Penn State and AccuWeather Inc. The team used a "machine learning" program running on XSEDE supercomputers to recognize a typical cloud formation known as comma-shaped clouds in satellite images. Their results detected up to 99 percent of the comma-shaped clouds and 64 percent of ensuing storms in 2011 and 2012 satellite images over the U.S. Their hope is to develop an accurate early warning system so that storm warnings can be issued more quickly than possible today.
 
 
Satellite image of a comma-shaped cloud showing how the warm conveyor belt (red) and cold conveyor belt (blue) winds combine to create the distinctive shape.
 
Supercomputers help engineers discover new materials for solar cells and LEDs
 
Large-scale quantum calculations are key to findings
 
 
Research engineers at the University of California San Diego have developed a high-throughput computational method using XSEDE-allocated resources to design new materials for next generation solar cells and LEDs. According to their calculations, these materials, called hybrid halide semiconductors, would be stable and exhibit excellent optoelectronic properties.
 
The team  published their findings  in May in the journal  Energy & Environmental Science.  Hybrid halide semiconductors are materials that consist of an inorganic framework housing organic cations. They show unique material properties that are not found in organic or inorganic materials alone.
 
 
One representative candidate material, (MA)2GeI4 (MA = CH3NH3), with crystal structure described by Pearson symbol tI14.
 
Program Announcements
 
What is XSEDE?
 
 
Check out our new video to find out!
 
In addition to connecting researchers with computational resources, XSEDE provides a variety of  trainings , chances to collaborate  with computational science and cyberinfrastructure experts,  tools   for data analysis and visualization, opportunities for students , and much more.
 
Together, the XSEDE team is working to bring the best of XSEDE to every user, so that you can Discover More.
 
Seeking nominations for the XSEDE Advisory Board
 
XSEDE is seeking nominations for individuals to serve on the XSEDE Advisory Board (XAB). All members of the community are eligible to serve on the XAB. Nominations will be accepted through June 14, 2019 at 11:59 p.m. Central Time and should be sent to Ron Pay,  rpayne@illinois.edu . Additional information on the XAB and nomination requirements may be found at the link below.
 
 
XCRI team supports Doane University in HPC build and implementation
 
 
XSEDE Capabilities and Resource Integration (XCRI) staff assisted in building a new high performance computing (HPC) cluster at Doane University in Crete, Nebraska. Adam Erck, the new Director of the Center for Computing in the Liberal Arts (CCLA) at Doane, asked the team to help implement the university's first HPC resource after discovering XCRI at Supercomputing 2017.
 
The new system, Onyx , is a 33-node system with 142 processors and was donated by the Holland Computing Center. In addition to helping build the cluster, the XCRI team worked with administrators to impart a full sense of the value that Onyx will bring, and held a user training session after the implementation was complete to familiarize users with the system.
 
 
Community Announcements
 
Campus Research Computing Consortium (CaRCC) launches new data-facing track
CaRCC (the Campus Research Computing Consortium), an organization of dedicated professionals developing, advocating for, and advancing campus research computing and data and associated professions, has just announced the launch of their new data-facing track. This track will be a forum to discuss a wide range of topics related to data-enabled research, including:
  • Data science support
  • Data visualization
  • Data management and curation
  • Data workflows
  • Data transfer and networks
  • Data collection and production
  • Working with big data
 
People from research computing groups, libraries, research institutes, and other organizations are all welcome. If you help others compute with data, this group is for you!
 
 
Registration is open for InCommon BaseCAMP
Have a few tough questions relating to access management? Want to find out how your friends at other organizations are solving them? Want a crash course in InCommon Federation or open-source identity and access management software? There's a workshop for that! InCommon BaseCAMP (August 13-15 in Milwaukee) brings together all those interested in the basics of identity and access management  —  whether you manage identities, make resources available to folks from other organizations, or both. Get your questions answered and find out about the InCommon Federation and how the community-developed identity and access management suite (the InCommon Trusted Access Platform) can play a part.
 
 
Tune in for Trusted CI's monthly webinar on June 24
Trusted CI, the NSF Cybersecurity Center of Excellence, is presenting its June webinar on Monday the 24 th  at 11am Eastern time. The topic will focus on Trusted CI's new cybersecurity Framework for establishing and maintaining an open science cybersecurity program at any project scale and stage in a project's lifecycle. Such a framework would be useful even for projects having significant compliance requirements (e.g., FISMA, HIPAA, NIST SP 800-171) in that it provides a starting point for evolving a cybersecurity program rather than hundreds of pages dense with unprioritized requirements. Learn more about this webinar series and register at the link below.
 
 
SDSC webinar: A Quick Introduction to Machine Learning with SDSC's Comet Supercomputer
Join the San Diego Supercomputer Center on Tuesday, June 11 from 11:00 a.m. - 12:30 p.m. PT for an introduction to machine learning on Comet . This webinar provides an overview of the fundamental machine learning algorithms and techniques used to explore, analyze, and leverage data to construct data-driven solutions applicable to any domain. Topics include the machine learning process, data exploration, data preparation, classification, and cluster analysis, plus hands-on experience using R and RStudio. Additional information and registration may be found at the link below.
 
 
Blue Waters Petascale Computing Hackathon now accepting applications
 
 
Team applications for the Blue Waters Petascale Computing Hackathon are available until July 8, 2019. The Hackathon will take place September 9-13, 2019 at NCSA and will connect research teams with expert mentors to improve their scientific codes and enable them to take full advantage of HPC systems.
 
 
Upcoming Dates and Deadlines