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April 2020 IMPACT

 
April 2020 | 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
 
Supercomputers Unlock Reproductive Mysteries of Viruses and Life
 
XSEDE-allocated resources complete simulations pertinent to coronavirus, DNA replication
 
 
Viruses such as the  novel coronavirus  rely on the host cell membrane to drastically bend and eventually let loose the replicated viruses trapped inside the cell. Scientists have used supercomputer simulations to help propose a mechanism for this budding off of viruses. A related study also used simulations to find a mechanism for how the DNA of all life adds a base to its growing strand during replication. This fundamental research could help lead to new strategies and better technology that combats infectious and genetic diseases.
 
 
Supercomputer simulations led scientists to a mechanism for the budding off of viruses such as the coronavirus. [Credit: Mandal et al.]
 
Freedom, They Printed
 
AI on XSEDE-allocated system solves mystery of who printed seminal works on liberty
 
 
In the 17th century, you could get jailed or even executed for criticizing the government of England. But a flood of books on civil liberties, produced at great risk by anonymous printers, helped change that. An artificial intelligence (AI) analysis of irregular letters using PSC's Bridges supercomputer, with help from XSEDE's Extended Collaborative Support Services (ECSS) team, has helped a Carnegie Mellon team solve the mystery of who printed nine of these seminal works.
 
 
Movable metal type for a printing press.
 
XSEDE Resources Help Benchmark Cancer Immunotherapy Tool
 
New study advances research on individualized patient treatment
 
 
With the  American Cancer Society  estimating 1.76 million new cases and more than 600,000 deaths during 2019 in the U.S. alone, cancer remains a critical healthcare challenge. In efforts to help mitigate these numbers, researchers at Rice University are using XSEDE resources to evaluate their new molecular docking tool, called Docking INCrementally or DINC, which aims to improve immunotherapy outcomes by identifying more effective personalized treatments. T his molecular docking approach can make predictions of molecular interactions that other docking tools would miss, which has strong implications in cases where these predictions are notoriously difficult to make, and especially in the context of immunotherapy, which leverages the immune system to combat cancer.
 
 
This image depicts a Human Leucocyte Antigen (HLA) receptor (in grey) that displays a small protein fragment or peptide (in red) at the surface of a cell. If this peptide is recognized as "suspicious" by the immune system, the cell will be destroyed. [Credit: D. Devaurs]
 
A Galactic Choice
 
AI running on XSEDE systems surpasses humans at classifying galaxies
 
 
New telescope surveys are discovering hundreds of millions of new galaxies—far more than humans can classify. A National Center for Supercomputing Applications (NCSA)-led team has employed deep learning artificial intelligence (AI) on XSEDE-allocated systems to produce a galaxy-classifying artificial intelligence with better-than-human accuracy and capacity.
 
 
Images from the Dark Energy Survey that the AI identified as spiral.
 
Program Announcements
 
XSEDE in the Time of COVID-19
 
Throughout these uncertain times, XSEDE is continuing to operate as normal. XSEDE leadership has compiled status updates from all XSEDE subaward partner institutions and allocated resources/services. This information, as well as other announcements related to impacts in XSEDE services resulting from the COVID-19 outbreak, are being gathered and reported at   https://confluence.xsede.org/display/XT/COVID-19+Information .
 
XSEDE Joins HPC Consortium for COVID-19 Response
 
 
XSEDE and the XSEDE Resource Allocations System ( XRAS ) are proud to be contributing to the COVID-19 HPC Consortium from  T he White House's Office of Science and Technology Policy , a private/government/academic partnership that seeks to expedite applications for advanced computing research to combat the COVID-19 pandemic.
 
Researchers who are interested in conducting this timely work are asked to  submit research proposals to the COVID-19 Online Portal here , which is handled by the XRAS team.
 
 
Distance Learning Resources Offered by XSEDE
 
For helpful learning materials and assistance in bringing courses online, please check out XSEDE's distance learning resources.
 
Online training materials available on the XSEDE User Portal
 
XSEDE Training YouTube Channel
  • If you are not able to attend the HPC Monthly Workshop series in person, the lectures, organized by workshop, are available on the XSEDE Training YouTube channel.
 
Consulting Support
  • XSEDE Education staff can provide consulting for transitioning courses to remote and online delivery. Email kcahill@osc.edu if you have questions about resources or would like to schedule a consultation.
 
The HPC University
  • The HPC University (HPCU) is a virtual organization that provides a cohesive, persistent, and sustainable online environment to share educational and training materials for a continuum of high performance computing environments.
  • Resources 
  • Workshop/Training Materials
 
Computing4Change Now Accepting Applications
Do you know an undergraduate student who seeks not only to enhance their skillset, but also to create positive change in the community?
 
Computing4Change is a competition for students from diverse disciplines and backgrounds who want to work collaboratively to:
  • Learn to apply data analysis and computational thinking to a social challenge
  • Experience the latest tools and techniques for exploring data through visualization
  • Expand skills in team-based problem solving
  • Learn how to communicate ideas more effectively to the general public
 
The Computing4Change competition will be held at SC20 in Atlanta, GA, Nov. 14-20, 2020.  Applications will be accepted through May 18, 2020
 
 
Community Announcements
 
Priority Help to COVID-19 Projects Offered by Trusted CI, NSF CI CoE Pilot, and SGCI
 
The  NSF Cyberinfrastructure Center of Excellence Pilot Trusted CI , and the  Science Gateways Community Institute  are all available to help the science community tackle research to address the coronavirus disease 2019 (COVID-19) outbreak. If your project could benefit from expert cyberinfrastructure consulting in:
  • data management and visualization
  • workflow management
  • use of cloud resources, high-performance clusters, or distributed resources
  • science gateway technology
  • cybersecurity
  • compliance
please contact   covid19@trustedci.org  for priority assistance.
 
 
Gateways 2020 Call for Participation
 
 
Gateways 2020 (October 19–21, Bethesda, Maryland) is now accepting submissions of short papers, demos, panels, tutorials, and workshops on the topic of gateways for science, engineering, or other disciplines. The deadline for T utorials and Workshops submissions has been extended until April 28. Short Papers, Demos, and Panels are due May 11, 2020. A poster deadline (open to all attendees) will be September 11.
 
 
GlobusWorld 2020 Goes Virtual
 
 
As with most other events in April, GlobusWorld 2020 will now be held as a virtual conference on April 29. The agenda focuses on product and user updates, celebrating 10 years of delivering data management services to researchers. Globus will also hold a Customer Forum in an online format, and provide ample opportunity for subscribers to engage with Globus leadership and the product team. Register for the Customer Forum here .
 
 
Upcoming Dates and Deadlines