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XSEDE IMPACT MARCH 2021

 
March 2021 | 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
 
Supercomputing the Secrets of the Inner Ear
 
XSEDE-allocated supercomputers aid in study of key proteins involved in hearing and balance
 
 
The ears don't just help you hear. They also help a person walk, stand, and stay balanced. In fact, they work together with other systems in the body to help one understand our place in space. Many people who have sensations of vertigo find that the problem lies in their inner ears.
 
Researchers are studying cadherin-23 (CDH23) and protocadherin-15 (PCDH15), two large proteins involved in hearing loss and balance disorders, thanks to supercomputing resources allocated by XSEDE.
 
 
Credit: Marcos Sotomayor, The Ohio State University
 
MIT Researchers Use Machine Learning to Advance Computational Chemistry
 
XSEDE-allocated resources simulate complex models
 
 
Even though computational chemistry represents a challenging arena for machine learning, a team of researchers from the Massachusetts Institute of Technology (MIT) may have made it easier.
 
Thanks to allocations from XSEDE, they succeeded in developing an artificial intelligence (AI) approach to detect electron correlation — the interaction between a system's electrons — which is vital but expensive to calculate in quantum chemistry.
 
 
Multi-reference character of 3,165 structures as evaluated by two of the 15 diagnostics used by experts in the field, nHOMO[MP2] (top left) and C02 (top right). Bottom panels show all 15 diagnostics displayed using the uniform manifold approximation and projection (UMAP), with the bottom/top 10% for the two metrics shown as solid blue/red circles. Credit: Kulik et al, MIT.
 
Supercomputer Illustrates Mechanical Process of Cancer Growth
 
XSEDE-allocated resource enables researchers to show cellular "pushing" of collagen
 
 
According to the World Health Organization, one in six worldwide deaths has been attributed to cancer. However, these fatalities were not due to initial malignant tumors — the deaths were caused by the spread of cancer cells to surrounding tissues and subsequent tumor growth.
 
These tissues, which consist largely of collagen, have been the focus of a recent collaborative study by a team from Stanford University and Purdue University. To accomplish their work, the researchers utilized XSEDE allocations to study cancer cell division as what drives the growth of primary and metastatic tumors. Their research singled out the pushing mechanism as the key factor in allowing mitosis to occur.
 
 
Schematic of model system (left) and results of simulations showing deformation of collagen matrix (center and right) as cell undergoes division. Fcyto is constant inward force applied to the cell membrane near the cell equator to simulate cytokinetic ring contraction and Fls is force generated by cell during mitosis. Credit: T. Kim (Purdue), O. Chaudhuri (Stanford), and S. Nam (Harvard).
 
Program Announcements
 
PSC's Bridges-2 and SDSC's Expanse Now Allocable by XSEDE
 
 
Two relatively new NSF-funded supercomputers, the Bridges-2 platform at the Pittsburgh Supercomputing Center (PSC), and Expanse at the San Diego Supercomputer Center (SDSC), are available for allocation requests via XSEDE. Users who wish to access either resource can request allocations through normal XSEDE allocation channels, including the upcoming March 15-April 15 allocation cycle. More information about each individual resource may be found at the link below.
 
 
New Cornell Virtual Workshop Training Opportunities Available with XSEDE
 
 
Four new Cornell Virtual Workshop training topics are available at the XSEDE User Portal:
  • Getting Started on Frontera
  • Introduction to Advanced Cluster Architectures
  • Using the Jetstream APIs
  • Python for Data Science: Part 2 - Data Modeling and Machine Learning
 
Cornell Virtual Workshop topics are freely available at all times to the entire scientific community — researchers, HPC practitioners, students, and educators — at XSEDE Online Training.
 
 
Community Announcements
 
Frontera Expansio
 
 
Watch out, disasters and pandemics! The fastest university supercomputer in the world just got faster — thanks to an expansion from the National Science Foundation (NSF)Dell, and Intel — and will help scientists solve societal problems by providing urgent access to massive computing power.
 
 
Apply for a One-on-One Engagement with Trusted CI
 
 
One of Trusted CI's core activities is conducting one-on-one engagements with NSF projects and facilities. Topics for engagements include anything broadly in the scope of information security and can include the development of new cybersecurity programs, assessing existing cybersecurity programs, software assurance, identity management, or recommendations on new software features. The application deadline for engagements to be executed July-December 2021 is April 2, 2021.
 
 
PEARC21 Call for Participation
 
 
ACM PEARC21 Conference — Evolution Across All Dimensions will take place virtually from July 18-22, 2021 and will explore the current practice and experience in advanced research computing including workforce development, training, diversity, applications and software, and systems and software. 
 
Submission Deadlines:
 
Tutorials and Workshops: February 9, 2021
Full Papers: March 9, 2021
Short Papers: April 13, 2021
Invited resubmissions: April 20, 2021
Panels: May 9, 2021
Birds of a Feather: May 9, 2021
Posters: May 16, 2021
Visualizations: May 23, 2021
 
 
News from Globus
 
 
Upcoming Dates and Deadlines