Chicago, July 29, 2019 – The Northeast CyberTeam Initiative, a National Science Foundation-funded project to expand access to high performance computing among researchers at small and mid-sized colleges and universities, will host two “Birds of a Feather” sessions at PEARC19 beginning today.
The first session, which will take place Monday from 5:15 p.m. to 6:15 p.m., will focus on ASK.CI, developed by the Cyberteam in partnership with the XSEDE Campus Champions to aggregate answers to a broad spectrum of questions that are commonly asked by the research computing community. The Platform has participation from nearly 300 volunteers representing over 240 institutions worldwide and has attracted over 100,000 page views since launch. The PEARC session will include a discussion of lessons learned since launch and plans for the coming year, in particular the introduction of “locales”, institution-specific categories created under the umbrella of Ask.CI.
The second session, scheduled for Tuesday from 5:15 p.m. to 6:15 p.m., will provide information for audience members interested in learning about the Cyberteam Initiative. Recognizing that Research Computing Facilitators (RCFs) are often critical to enabling the successful transition to advanced computing, and that RCFs are common at large universities and corporations, but rare at smaller institutions, the Cyberteam Initiative aims to fill the gap by giving interested students hands-on RCF experience, creating a pipeline of talent to meet growing academic and industry demand for that role. The Cyberteam has launched 28 projects over the past two years that pair student RCFs with experienced mentors to work with researchers and educators. In parallel, the project has developed a portal, that provides access to web-based self-service learning resources such as Ask.CI, as well as tools to manage projects. The portal encapsulates knowledge and experience that has been gained, with the goal of making it possible to replicate the methodology in other regions.
“The Northeast Cyberteam Initiative has developed a robust methodology for making research computing more readily accessible to smaller institutions in the region” said John Goodhue, Principal Investigator of the Northeast Cyberteam Initiative and Executive Director of the Massachusetts Green High Performance Computing Center. “Our goal is to find opportunities to replicate or adapt the methodology for use in other parts of the country.”
“While Ask.CI has shown steady growth in both contributions and audience, we believe unmet need for it still exists,” said Julie Ma, Program Manager of both the Northeast Cyberteam Initiative and Ask.CI. “We strive to continue to raise awareness of ASK.CI to meet that need while expanding on the depth and breadth of the content.”
The Practice Experience in Advanced Research Computing (PEARC) Conference Series is a community-driven effort built on successes of the past, with the aim to grow and be more inclusive by involving additional local, regional, national, and international cyberinfrastructure and research computing partners spanning academia, government and industry. The PEARC conference series is working to integrate and meet the collective interests of our growing community by providing a forum for discussing challenges, opportunities and solutions among the broad range of participants in the research computing community. The PEARC conferences are organized by a group of dedicated volunteers from the community.
About the Northeast Cyberteam Initiative
High performance computing has become an in indispensable part of scientific inquiry today. The Northeast Cyberteam Initiative seeks to build a sustainable system of computational support for researchers at small and mid-sized colleges and universities in New England, who typically lack the computing resources available at larger institutions. The Cyberteam Initiative offers online computing tools and is developing a regional pool of Research Computing Facilitators (RCFs), who are expert at connecting researchers with appropriate computer systems. Funded by the National Science Foundation, the Cyberteam is a collaborative project led by the Massachusetts Green High Performance Computing Center, University of Maine System, University of New Hampshire, and University of Vermont, with support from Worcester Polytechnic Institute.
About the XSEDE Campus Champions Program
The Campus Champions are a community of practice of campus research computing professionals celebrating 10 years since initiation under Teragrid and support through XSEDE. The Campus Champions have grown to over 470 individuals from over 250 institutions, including 46 Minority Serving Institutions and 70 institutions in Established Program to Stimulate Competitive Research (EPSCoR) jurisdictions. The Campus Champions focus discussion on challenges, opportunities, solutions, and leading practices via an active mailing list and videoconferences. The Campus Champions community promotes and facilitates the effective participation of a diverse national community of campuses in the application of advanced digital resources and services to accelerate scientific discovery and scholarly achievement.
About the Massachusetts Green High Performance Computing Center
The Massachusetts Green High Performance Computing Center (MGHPCC) provides state-of-the-art infrastructure for computationally intensive research that is indispensable in the increasingly sensor and data-rich environments of modern science and engineering. Computers at the MGHPCC run millions of virtual experiments every month, supporting thousands of researchers in Massachusetts and around the world. The MGHPCC was developed through an unprecedented collaboration among the most research-intensive universities in Massachusetts (Boston University, Harvard University, the Massachusetts Institute of Technology, Northeastern University and the University of Massachusetts); the Commonwealth of Massachusetts; and private industry (Cisco and Dell EMC). The member universities fund the ongoing operation of the data center, which is open for use by any research organization.
Have a Research Computing Question? Just “Ask”
MGHPCC Press Release
Northeast Cyberteam Initiative Announces Measures to Help Researchers at Small and Mid-Size N.E. Colleges and Universities Leverage All-Important High Performance Computing Resources
MGHPCC Press Release
Jul 29, 11:44 EDT
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Materials scientists at Harvard use computers at the MGHPCC to design better solid-state lithium ion batteries through advanced characterizations and simulation.
As electric cars have evolved, running costs have begun to approach those for their gasoline forebears – more expensive to buy, cheaper to run – but range and charge time remain an outstanding issue. Leading the list of possible game-changers are solid-state lithium ion batteries in which wet electrolyte is replaced with a solid. Simpler, such units have the potential to be a lot cheaper, lighter, and not require liquid cooling. They are expected to also be longer-lasting and fireproof while potentially being much faster-charging too.
A major impediment to the development of solid‐state lithium‐ion batteries, however, are interfacial reactions between ceramic‐sulfide solid‐electrolytes and common electrodes. Such reactivity means that ceramic‐sulfide batteries require a suitable coating material to isolate the electrolyte from the electrode materials.
Xin Li, a materials scientist at Harvard, is focused on the design of new energy-related materials through advanced characterizations and simulations. By combining electrochemistry, electron microscopy, X-ray diffraction, and first-principles simulations, his team uses Harvard’s Odyssey Cluster (housed at the MGHPCC in Holyoke, MA) to understand the relationship between atomistic structure and electrochemical property of materials.
In new work published in the journal Advanced Energy Materials Li, working with graduate student William Fitzhugh and others in Harvard’s Paulson School of Engineering, computationally evaluated the interfacial stability of the lithium sulfide Li10SiP2S12 with over 67 000 potential coating materials. Their study found 2000 materials predicted to form stable interfaces in the cathode voltage range and over 1000 materials for the anode range. Studies like these are invaluable in narrowing the field of potential candidate materials ahead of physical trials.
Systematic assessment through first-principles analysis of large systems like this is of course computationally highly demanding. Innovations introduced in the paper included a new binary‐search algorithm to improve the speed and accuracy for evaluating pseudo and the authors highlight the computational challenges posed by high‐throughput interfacial phase‐diagram calculations as well as pragmatic computational methods they would recommend to make such calculations routinely feasible.
In addition to the over 3000 materials cataloged, representative materials from the anionic classes of oxides, fluorides, and sulfides were also chosen to experimentally demonstrate chemical stability when in contact with Li10SiP2S12. “We chose LiCoO2 as an example cathode material to identify coating compounds that would be stable with both Li10SiP2S12 and a common cathode,” Li explains. “Analyzing the correlation between elemental composition and multiple chemical and electrochemical instability metrics revealed key trends in, amongst others, the role of anion selection.”
Xin says the next step in this work will focus on computationally determining and experimentally realizing the best interface coating material by considering more advanced effects in all-solid-state batteries.
To find out more about this work contact XinAbout the Researcher Associate Professor of Materials Science
Xin Li is Assistant Professor of Materials Science in the John A. Paulson School of Engineering and Applied Sciences at Harvard University. His research group focuses on the design of new energy-related materials through advanced characterizations and simulations. By combining electrochemistry, (in situ) electron microscopy, (in situ) X-ray diffraction and first-principles simulations, his team seeks to understand the relationship between atomistic structure and electrochemical property of materials.Publication
William Fitzhugh, Fan Wu, Luhan Ye, Wenye Den, Pengfei Qi, Xin Li (2019), A High‐Throughput Search for Functionally Stable Interfaces in Sulfide Solid‐State Lithium Ion Conductors, Advanced Energy Materials, doi: 10.1002/aenm.201900807Related
The Culprit of Superconductivity in Cuprates, John A. Paulson School of Engineering and Applied Science News, Harvard UniversityLinks
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