December 2020 - Affiliates - mailman3.cels.anl.gov

The CELS Coffee Time for today is canceled due to so many on vacation
by Werner, Janet M. 23 Dec '20

23 Dec '20

Good Morning, The CELS Coffee Time will not take place today since many have taken off to celebrate the Christmas holiday. Wishing everyone a safe and happy holiday. Janet Werner -- Computing mailing list Computing(a)anl.gov https://lists.cels.anl.gov/mailman/listinfo/computing

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Moving on to a new chapter in my career
by Balaji, Pavan 18 Dec '20

18 Dec '20

Dear all, As many of you have already heard, I have recently accepted an offer with Facebook and will be moving in a month. January 22nd will be my last day at Argonne (assuming that I’m able to transfer all of my funding to other folks at Argonne before that). I will certainly miss Argonne and all of the smart and wonderful people that I have had the opportunity to work with during my time here. But after spending 15 years here, I want to see what else is out there so I don’t regret not having done that later in life. I want to thank you all for the wonderful collaboration, interactions, and friendships over the past 15 years. I’ll still be in HPC research (although, more focused on HPC for AI, rather than HPC for scientific computing), so I’ll likely see many of you at various conferences and meetings. As Rick said to me when I gave him the news — I’m not leaving Argonne — I’m simply extending Argonne’s reach to Facebook. :-) Regards, — Pavan P.S.: I’m working with Valerie to maintain either a joint appointment or guest appointment at Argonne. So my Argonne email address will still be valid for a while. But, I’m also available at pavanbalaji(a)gmail.com if you want to reach out and grab a drink at any time (after COVID, of course). -- Computing mailing list Computing(a)anl.gov https://lists.cels.anl.gov/mailman/listinfo/computing

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FW: CPS Special Seminar NOW
by Tezak, Samantha L. 17 Dec '20

17 Dec '20

The special CPS Seminar by Dr. Robert J. Hanisch will begin in 5 minutes CPS will host a special seminar by Dr. Robert J. Hanisch on Thursday, December 17 at 11:00 AM CT. Join via Zoom: https://argonne.zoomgov.com/j/1607352298?pwd=U3J0dGpTNEZhT292dUdZSFJkRkZ6UT… Dr. Robert J. Hanisch Director, Office of Data and Informatics, Material Measurement Laboratory National Institute of Standards and Technology Dr. Robert J. Hanisch is the director of the Office of Data and Informatics (ODI) within the Material Measurement Laboratory at NIST (since July 2014). He is focused on providing data management and dissemination services for NIST research data products, including the Standard Reference Data collection and the Materials Genome Initiative. He is active in national and international data sharing and interoperability initiatives such as the National Data Service Consortium and the Research Data Alliance. The preliminary draft of the NIST work on the Research Data Framework can be accessed at https://www.nist.gov/programs-projects/research-data-framework-rdaf “Data Management at NIST and the NIST Research Data Framework” Over the past several years NIST has embarked on a number of initiatives to improve the management and dissemination of research data. These include the development of a NIST-wide public data repository, deployment of a Configurable Data Curation System, development of data discovery platforms through resource registries, use of electronic lab notebooks, and development of a laboratory information management system (LIMS) for electron microscopy. We also participate in research data organizations such as CODATA, the Research Data Alliance, the World Data System, and GO-FAIR, and in a number of federal advisory committees and National Academy events. Starting a year ago we also initiated work on a Research Data Framework (RDaF), the goals of which are to document the research data landscape and provide organizations with guidance on how to plan, operate, and maintain a research data infrastructure. In 2021 we intend to run two pilot projects to test the RDaF concept: a discipline-oriented study in materials science and a broad stakeholder study with research universities, libraries, and scholarly publishers. -- Computing mailing list Computing(a)anl.gov https://lists.cels.anl.gov/mailman/listinfo/computing

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Argonne report card is out!
by Habib, Salman 16 Dec '20

16 Dec '20

Hi Everyone, The annual Lab report cards from DOE/SC are out: https://science.osti.gov/lp/Laboratory-Appraisal-Process/FY-2020 Argonne did especially well this year, possibly the best assessment we have ever had, although I can't be sure about this. In any case, kudos to all of you for the impressive work performed under especially difficult circumstances! We can raise a glass (or two) to the report card tomorrow at 5pm, hope to see you there -- All the Best Salman

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REMINDER: CELS Coffee Time is today from 2:00-3:00
by Werner, Janet M. 16 Dec '20

16 Dec '20

Hello, This is a friendly reminder of the CELS Coffee Time, today, Wednesday, at 2pm – 3pm. The speaker for today is Martin Suchara and the title of his talk is “Quantum Information Science Research in the CELS Directorate”. Participate by using Martin’s Blue Jean info: https://bluejeans.com/418711949<https://bluejeans.com/418711949?src=htmlEmail> Janet Werner Mathematics & Computer Science Division of Argonne National Laboratory (630) 252-3050 jwerner(a)anl.gov<mailto:[email protected]> -- Computing mailing list Computing(a)anl.gov https://lists.cels.anl.gov/mailman/listinfo/computing

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CPS Special Seminar Thursday, December 17
by Tezak, Samantha L. 15 Dec '20

15 Dec '20

CPS will host a special seminar by Dr. Robert J. Hanisch on Thursday, December 17 at 11:00 AM CT. Join via Zoom: https://argonne.zoomgov.com/j/1607352298?pwd=U3J0dGpTNEZhT292dUdZSFJkRkZ6UT… Dr. Robert J. Hanisch Director, Office of Data and Informatics, Material Measurement Laboratory National Institute of Standards and Technology Dr. Robert J. Hanisch is the director of the Office of Data and Informatics (ODI) within the Material Measurement Laboratory at NIST (since July 2014). He is focused on providing data management and dissemination services for NIST research data products, including the Standard Reference Data collection and the Materials Genome Initiative. He is active in national and international data sharing and interoperability initiatives such as the National Data Service Consortium and the Research Data Alliance. The preliminary draft of the NIST work on the Research Data Framework can be accessed at https://www.nist.gov/programs-projects/research-data-framework-rdaf “Data Management at NIST and the NIST Research Data Framework” Over the past several years NIST has embarked on a number of initiatives to improve the management and dissemination of research data. These include the development of a NIST-wide public data repository, deployment of a Configurable Data Curation System, development of data discovery platforms through resource registries, use of electronic lab notebooks, and development of a laboratory information management system (LIMS) for electron microscopy. We also participate in research data organizations such as CODATA, the Research Data Alliance, the World Data System, and GO-FAIR, and in a number of federal advisory committees and National Academy events. Starting a year ago we also initiated work on a Research Data Framework (RDaF), the goals of which are to document the research data landscape and provide organizations with guidance on how to plan, operate, and maintain a research data infrastructure. In 2021 we intend to run two pilot projects to test the RDaF concept: a discipline-oriented study in materials science and a broad stakeholder study with research universities, libraries, and scholarly publishers. -- Computing mailing list Computing(a)anl.gov https://lists.cels.anl.gov/mailman/listinfo/computing

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FW: CPS Holiday Happy Hour
by Tezak, Samantha L. 14 Dec '20

14 Dec '20

Good afternoon CPS, If you haven’t done so already, please RSVP for the CPS Holiday Happy Hour and Elfster gift exchange so we can finalize the details! RSVP HERE<http://evite.me/w8FgD1rsPW> ELFSTER HERE<https://www.elfster.com/gift-exchanges/b64e061b-2c37-448b-9f2c-d88cf980b06e…> [Text, whiteboard Description automatically generated] Join us for our weekly happy hour with some added holiday cheer. We will have a small gift exchange organized through Elfster. Sign up for the gift exchange here<https://www.elfster.com/gift-exchanges/b64e061b-2c37-448b-9f2c-d88cf980b06e…>. Names will be selected on Monday, December 14. You'll receive an email on Monday with the name of your giftee. When you register, please include a wish list of items up to $20. Your address will only be shared with your gifter. This is an optional bit of fun. If you have ideas on how to add extra fun to the celebration, let us know! *************************************** Samantha L Tezak Executive Assistant, CPS Division Argonne National Laboratory 9700 S. Cass Avenue Lemont, IL 60439 Tel: (630) 252-6250 E-mail: stezak(a)anl.gov<mailto:[email protected]> **************************************** P Please consider the environment before printing this e-mail

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CPS Weekly Virtual Lunch
by CPS Division Office 14 Dec '20

14 Dec '20

Join Meeting <https://bluejeans.com/636358684/> (Join from computer or phone) Phone Dial-in +1.312.216.0325<tel:+1.312.216.0325> (US (Chicago)) +1.408.740.7256<tel:+1.408.740.7256> (US (San Jose)) +1.866.226.4650<tel:+1.866.226.4650> (US Toll Free) (Global Numbers<https://www.bluejeans.com/premium-numbers>) Meeting ID: 636 358 684 Room System 199.48.152.152 or bjn.vc Meeting ID: 636 358 684

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CPS Weekly Virtual Lunch
by CPS Division Office 14 Dec '20

14 Dec '20

Join Meeting <https://bluejeans.com/636358684/> (Join from computer or phone) Phone Dial-in +1.312.216.0325<tel:+1.312.216.0325> (US (Chicago)) +1.408.740.7256<tel:+1.408.740.7256> (US (San Jose)) +1.866.226.4650<tel:+1.866.226.4650> (US Toll Free) (Global Numbers<https://www.bluejeans.com/premium-numbers>) Meeting ID: 636 358 684 Room System 199.48.152.152 or bjn.vc Meeting ID: 636 358 684

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REMINDER: CPS Division Meeting - Presenter: Paul Kent, ORNL
by Tezak, Samantha L. 14 Dec '20

14 Dec '20

Good morning, There will be a CPS Division Meeting today at 2:00 PM CT with a talk presented by Paul Kent from Oak Ridge National Laboratory Bio: Paul Kent is currently a distinguished R&D staff at ORNL. He completed his PhD in Theoretical Physics at the University of Cambridge in 1999. He joined ORNL after moving to the USA for postdoctoral positions at the National Renewable Energy Laboratory and the University of Tennessee. Currently he directs the Center for Predictive Simulation of Functional Materials and leads the open source QMCPACK applications development as part of DOE’s Exascale Computing Project. He is a Fellow of the American Physical Society and was most recently awarded the 2020 ORNL Director’s Award for Outstanding Individual Accomplishment in Science and Technology. Talk Title: Grand Challenges in Computational Materials Science: Towards Reliable Predictions of Quantum Materials Abstract: One of the longstanding grand challenges in computational materials science and condensed matter theory is to be able to reliably and accurately solve for the quantum mechanical properties of general materials. This capability is necessary in many areas ranging from materials design through to prediction and interpretation of novel quantum phenomena. Today while there are many successful approximate methods, we lack general and widely applicable methods able to provide a ground truth. This is a general problem, but particularly problematic for systems such as quantum materials where the results are particularly delicate to approximations made. In this talk I will describe recent advances in Quantum Monte Carlo methods, which combined with the increased capabilities promised by Exascale computing promise to bring us significantly closer to the goal of reliable materials predictions. https://events.cels.anl.gov/event/53/v The division seminar schedule can be viewed here<https://events.cels.anl.gov/category/9/>. Join Meeting <https://bluejeans.com/919103457/> (Join from computer or phone) Phone Dial-in +1.408.317.9254<tel:+1.408.317.9254> (US (San Jose)) +1.866.226.4650<tel:+1.866.226.4650> (US Toll Free) (Global Numbers<https://www.bluejeans.com/premium-numbers>) Meeting ID: 919 103 457 Room System 199.48.152.152 or bjn.vc Meeting ID: 919 103 457

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