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XSEDE IMPACT December 2018

December 2018 | 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 Researcher Applies Supercomputing to Global Finance Markets
Mao Ye, a professor of Finance at the University of Illinois at Urbana-Champaign, is using XSEDE resources to integrate advanced computing into a business curriculum
Until recently, the thought of using supercomputers, the world's most powerful computational machines, to study global financial markets was relatively unheard of. Today, Mao Ye, a Finance researcher from the University of Illinois at Urbana-Champaign is seeking to change that, and perhaps even inform regulatory decision-making in the future, all with the help of XSEDE's computational and consulting expertise.
University of Illinois finance researcher Mao Ye (pictured) uses HPC to investigate trading in financial markets.
Stopping HIV in Its Tracks
XSEDE helps scientists understand monkey protein that confers immunity to HIV
Scientists have scored a number of victories against HIV, the virus that causes AIDS. But these victories are incomplete. We can hold the virus in check, but not cure it. We can reduce the chances someone will be infected, but do not have a surefire way to prevent infection. Scientists from the University of Delaware and the University of Pittsburgh are using the XSEDE resource Bridges at the Pittsburgh Supercomputing Center to investigate how one protein prevents HIV from infecting monkeys. Understanding how it does that, and why the human version of that protein doesn't, promises a completely new avenue for stopping HIV in its tracks.
The HIV capsid's oblong shape (left) is made possible by the CA protein (right) sometimes assembling in five-membered pentamers (center, top), and sometimes in six-membered hexamers (center, bottom). The monkey TRIM5α protein disrupts the capsid by making the pentamers more rigid than they need to be to function.
Hawai'i H2O
XSEDE Campus Champion introduces XSEDE resources to multi-institution collaboration aimed at helping the island paradise ensure its water security
An estimated  1.1 billion people  lack access to clean water worldwide. As the water systems that keep our taps running and our crops fed continue to be strained by a growing population and increasing pollution, the problem is expected to get worse.This threat is not lost on Hawai'i, a cluster of islands that faces a unique set of challenges due to its combination of isolation and volcanic geophysics.
The 'Ike Wai Gateway project at the University of Hawai'i is making it easier for scientists to collect, analyze, and share valuable water data. To bring this gateway to fruition, Cleveland turned to XSEDE-allocated resources, like Jetstream, to introduce data science to the project's researchers.
Check out Science Node's interview with Campus Champion Sean Cleveland to learn more about the unique freshwater issues Hawai'i faces.
A New Way to See Stres s — Using Supercomputers
Stressed materials show asymmetric distributions in simulations on Comet and Jetstream supercomputers through XSEDE allocations
It's easy to take a lot for granted. Scientists do this when they study stress, or the force per unit area on an object. Scientists handle stress mathematically by assuming it to have symmetry. That means the components of stress are identical if you transform the stressed object with something like a turn or a flip. At the atomic level, material stress doesn't behave symmetrically. That's according to supercomputer simulations awarded through XSEDE. The findings could help scientists design new materials such as glass or metal that doesn't ice up.
Supercomputer simulations show that at the atomic level, material stress doesn't behave symmetrically. Molecular model of a crystal containing a dissociated dislocation, atoms are encoded with the atomic shear strain. Below, snapshots of simulation results showing the relative positions of atoms in the rectangular prism elements; each element has dimensions 2.556 Å by 2.087 Å by 2.213 Å and has one atom at the center. Credit: Liming Xiong.
Undergraduate Students Apply Advanced Computing to Combat Violence
XSEDE-supported Computing4Change competition brings diverse students together for transformative learning experience
"I'm a problem-solver and hope to use technology to make change. Technology cannot solve these problems alone. But with human passion and determination, we can create tools to empower and transform the world."
And that's exactly what two dozen students from across the U.S. and around the world teamed up to do as part of the Computing4Change event at SC18.
The 2018 Computing4Change students at SC18.
Introducing New Members of the XSEDE Advisory Board (XAB)
XSEDE would like to formally welcome four new members to the XSEDE Advisory Board:
  • Lisa Arafune, Director of the Coalition for Academic Scientific Computation (CASC)
  • Ken Bloom, professor of Physics & Astronomy at the University of Nebraska
  • Rudi Eigenmann, Professor of Electrical and Computer Engineering at the University of Delaware
  • Ani Ural, Director of the Computational Biomechanics and Solid Mechanics Laboratory at the University at Villanova University
We are grateful for the expertise and commitment they will bring to XSEDE as we strategically plan for our future.
Recent NSF Solicitations and Guidelines Regarding XSEDE Collaborations
The NSF has recently released a few solicitations which may be of interest to the greater XSEDE community, including:
Solicitation #19-537 : Mid-scale Research Infrastructure-1 (Mid-scale RI-1)
Solicitation #19-542 : Mid-scale Research Infrastructure 2 (Mid-scale RI-2)
Solicitation #19-524 : Training-based Workforce Development for Advanced Cyberinfrastructure (CyberTraining)
Solicitation #19-512 : CISE Community Research Infrastructure (CCRI)
Solicitation #19-534 : Advanced Computing Systems & Services: Adapting to the Rapid Evolution of Science and Engineering Research
Guidelines on how to collaborate with XSEDE on a solicitation will be added to our website and shared with the community soon.
New XSEDE Highlights Book Now Available
XSEDE is thrilled to release the sixth edition of our XSEDE Highlights book, which features 13 different stories of scientific breakthroughs made possible through access to XSEDE-allocated resources, services, and assistance.
Download a copy here, or request to receive a physical copy in the mail here.
XCI Updates
The XSEDE Cyberinfrastructure Integration (XCI) team has released a new Cyberinfrastructure Resource Integration (CRI) toolkit that allows users to leverage virtual clusters hosted in Jetstream as if they were their own. XCI has also completed an installation of the XSEDE Compatible Basic Cluster (XCBC) stack at Doane University, and summarized the list of upcoming new capabilities and enhancements expected to be delivered in Program Year 8 (September 2018 thru October 2019).
Apply by Feb. 4 for the 2019 International HPC Summer School Program
Graduate students and postdoctoral scholars are invited to apply for the tenth International Summer School on HPC Challenges in Computational Sciences, to be held from July 7 to 12, 2019, at the campus of the RIKEN Center for Computational Science (R-CCS) in Kobe, Japan.
Applications are due Feb 4, 2019. The expense-paid program will benefit scholars from around the world who use advanced computing in their research. The ideal candidate does not need to be an expert in HPC! More information and how to apply may be found at the link below.
Students and leading computational scientist mentors at the 2018 IHPCSS in Ostrava, Czech Republic.
Gateway and Software Catalog: Browse, Reuse, Add Your Own!
Have a gateway that you want to share with the world? Looking for a gateway to use for your research, teaching, or learning?
The Gateway Catalog is your one-stop source where you can add your own or browse existing gateways and software components.
  • Search by keyword or categories
  • Browse by fields of research
  • Locate software to support gateways
The Gateway Catalog is supported by the Science Gateways Community Institute , which is funded by NSF to offer—at no cost—resources, services, experts, and ideas for creating and sustaining gateways. How may we help you? Drop us a note:
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