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

Re: Paper accessibility: submit to arXiv!
by Keceli, Murat 25 Feb '20

25 Feb '20

I agree, I think one of the reasons ML community has grown so fast is thanks to arxiv and github. I just want to note that there are other preprint servers as well. Bio community uses https://www.biorxiv.org/, and chemistry has https://chemrxiv.org/. Murat ________________________________ From: cps-employees-bounces(a)lists.anl.gov <cps-employees-bounces(a)lists.anl.gov> on behalf of Salman Habib <habib(a)anl.gov> Sent: Tuesday, February 25, 2020 11:53 AM To: cps-all(a)anl.gov <cps-all(a)anl.gov> Subject: Paper accessibility: submit to arXiv! Hi Everyone, I would like to encourage all of you to submit all of your papers to arXiv. Might as well do this when you do the PANDA paperwork -- I am continuously frustrated at the lack of public access to CS and computational science papers as they are often stuck behind paywalls. So please do your bit for taxpayer-funded science to be publicly open! Best Salman PS If there is anyone who does not know what arXiv is (gasp!), go here: https://arxiv.org/ _______________________________________________ cps-employees mailing list cps-employees(a)lists.anl.gov https://lists.anl.gov/mailman/listinfo/cps-employees

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Paper accessibility: submit to arXiv!
by Salman Habib 25 Feb '20

25 Feb '20

Hi Everyone, I would like to encourage all of you to submit all of your papers to arXiv. Might as well do this when you do the PANDA paperwork -- I am continuously frustrated at the lack of public access to CS and computational science papers as they are often stuck behind paywalls. So please do your bit for taxpayer-funded science to be publicly open! Best Salman PS If there is anyone who does not know what arXiv is (gasp!), go here: https://arxiv.org/

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Reminder: Applications for ATPESC 2020 due Monday 3/2
by Loy, Raymond M. 24 Feb '20

24 Feb '20

*** Applications for ATPESC 2020 due Monday 3/2*** The deadline to apply for the Argonne Training Program on Extreme-Scale Computing (ATPESC) is coming up on March 2, 2020. This year's program will be held July 26-August 7, 2020. Doctoral students, postdocs, and scientists interested in conducting computational science and engineering research on large-scale computers are encouraged to apply. Application instructions can be found at: http://extremecomputingtraining.anl.gov -- Computing mailing list Computing(a)anl.gov https://lists.cels.anl.gov/mailman/listinfo/computing

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Meeting today at 2pm is on
by Salman Habib 24 Feb '20

24 Feb '20

Hi Everyone, We'll have a CPS meeting today to catch up on what's been happening and bring you up to date on a few new things. If you don't show up, you may be "volunteered" for certain tasks ;-). Best Salman

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CPS Seminar - Uncovering Anharmonicity in Material Space
by CPS Division Office 21 Feb '20

21 Feb '20

SAVE THE DATE: On Friday, February 28th, Thomas A. R. Purcell from Fritz Haber Institute Berlin will present “Uncovering Anharmonicity in Material Space.” This seminar will take place at 10:30 am in Building 241, Room D173. Bluejeans connection is provided below for those who can’t attend in person. Speaker: Thomas A. R. Purcell, PhD Fritz Haber Institute Berlin Title: Uncovering Anharmonicity in Material Space Date: Friday, February 28, 2020 Time: 10:30 am Location: Building 241, D173 https://bluejeans.com/585991833 Host: Alvaro Vazquez-Mayagoitia Agenda: Identifying materials with ultra-low thermal conductivities κ is the pivotal challenge in the development of more efficient thermoelectric devices. One strategy to achieve this goal is to find materials with a high level of anharmonicity, and therefore reduced phonon lifetime and κ. To help discover such materials, we calculate the anharmonicity of materials ranging from simple binary compounds to complex perovskites using the high-throughput framework FHIvibes [1]. The framework automatically generates an accurate harmonic model for a material’s vibrational properties, from which we determine its anharmonicity by statistically comparing the harmonic and ab initio forces of thermally displaced structures. Our screening not only demonstrates that anharmonicity is more prevalent in material space than previously thought, but also shows that the developed metric strongly correlates with various thermal properties. Using classes of simple binaries as an example, we show that the anharmonicityof a material can be related to its atomic, bulk, and harmonic properties via the sure independence screening and sparsifying operator (SISSO) approach [2], thus facilitating an even more efficient screening. [1] https://vibes.fhi-berlin.mpg.de [2] R. Ouyang, et al. Phys. Rev. Mat. 2, 083802 (2018) Bio: Thomas Purcell began his scientific career at New York University where he received his B.S. in Chemistry and worked as an undergraduate researcher for Prof. Mark Tuckerman calculating protein-ligand binding energies using an enhanced sampling molecular dynamics technique, driven-Adiabatic Free Energy Dynamics (d-AFED). He completed his Ph.D. at Northwestern University under Prof. Tamar Seideman. There he focused on developing classical and semiclassical models to describe the coupling between quantum emitters and plasmonic nanoparticles. Tom then went on to become an Alexander von Humboldt postdoctoral fellow at the Fritz Haber Institute. His current research focuses on building high-throughput computational workflows and machine learning models for understanding thermal transport properties of materials, and developing the new Python-based package FHI-vibes.

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Fwd: DOE SCGSR 2020 Solicitation 1 - Seeking Gradaute Applications
by Salman Habib 20 Feb '20

20 Feb '20

Hi Everyone, Here's the announcement for the DOE SCGSR program. It's a good way of getting grad students for up to a year (but not longer). Note that only US nationals and permanent residents (Green Card holders) are eligible. Also note that if someone has worked with you for more than 3 months already, they are not eligible. To avoid surprises do look carefully at the eligibility requirements. Best Salman ---------------------------------------------------------------------------- Dear Colleagues, The Department of Energy’s (DOE) Office of Science is pleased to announce that the Office of Science Graduate Student Research (SCGSR) program is now accepting applications for the 2020 Solicitation 1.* Applications are due 5:00pm Eastern Time on Wednesday, May 6, 2020. * We would like to bring to your attention 4 new transdisciplinary research areas for encouraging graduate training activities at the convergence of multiple disciplines and communities, including */Microelectronics, Data Science, Fundamental Symmetries, /*/and*Accelerator Science*/. We strongly encourage applications in these areas. Detailed information about the program, including eligibility requirements and access to the online application system, can be found at: https://science.osti.gov/wdts/scgsr/ <https://science.osti.gov/wdts/scgsr/>. The SCGSR program supports supplemental awards to outstanding U.S. graduate students to conduct part of their graduate thesis research at a DOE national laboratory/facility in collaboration with a DOE laboratory scientist for a period of 3 to 12 consecutive months—with the goal of preparing graduate students for scientific and technical careers critically important to the DOE Office of Science mission. The SCGSR program is open to current Ph.D. students in qualified graduate programs at accredited U.S. academic institutions, who are conducting their graduate thesis research in targeted areas of importance to the DOE Office of Science. The research opportunity is expected to advance the graduate students’ overall doctoral thesis/dissertation while providing access to the expertise, resources, and capabilities available at the host DOE laboratories/facilities. The supplemental award provides for additional, incremental costs for living and travel expenses directly associated with conducting the SCGSR research project at the DOE host laboratory/facility during the award period. The Office of Science expects to make approximately 95 awards in 2020 Solicitation 1 cycle, for project periods beginning anytime between November 9, 2020 and March 1, 2021. Since its inception in 2014, the SCGSR program has provided support to over 520 graduate awardees from 137 different U.S. universities to conduct thesis research at 18 DOE national laboratories/facilities across the nation. The SCGSR program is sponsored and managed by the DOE Office of Science’s Office of Workforce Development for Teachers and Scientists (WDTS), in collaboration with the six Office of Science research programs offices and the DOE national laboratories/facilities, and program administration support is provided by the Oak Ridge Institute for Science and Education (ORISE). For any questions, please contact the SCGSR Program Manager, Dr. Ping Ge, at sc.scgsr(a)science.doe.gov <mailto:[email protected]>. U.S. Department of Energy, Office of Science

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REMINDER: Argonne Computing Coffee Hour Today in the Viz Lab from 2:00-3:00
by Werner, Janet M. 19 Feb '20

19 Feb '20

Hello, The weekly Argonne Computing Coffee Hours are going well with having presentations each week to facilitate everyone getting to know about each other’s computing activities to enable more collaborations. The coffee hours take place on Wednesdays, 2pm – 3pm in the Viz Lab on the 4th floor, 4312. The speaker for today is Carla Mann and the title of her talk is “GILBERT: A Genomic Natural Language Processing Model for Designing Secure BioSystems”. Janet -- Computing mailing list Computing(a)anl.gov https://lists.cels.anl.gov/mailman/listinfo/computing

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The Argonne Computing Coffee Hour for today is canceled
by Werner, Janet M. 12 Feb '20

12 Feb '20

Good Morning, Due to the high number of travelers the Argonne Computing Coffee Hour for today is canceled. Janet -- Computing mailing list Computing(a)anl.gov https://lists.cels.anl.gov/mailman/listinfo/computing

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Re: CMake Workshop?
by Willmore, Frank Ted 11 Feb '20

11 Feb '20

Hi Yasaman-- I'm very interested in attending a CMake workshop. 1. I have no feature requests 2. All topics are of interest, would like to spend some time on CTest and CDash. Cheers, Frank Willmore, Ph.D. ALCF Operations Argonne National Laboratory willmore(a)anl.gov<mailto:[email protected]> ________________________________ From: lcf-employees-bounces(a)lists.anl.gov <lcf-employees-bounces(a)lists.anl.gov> on behalf of Ghadar, Yasaman <ghadar(a)anl.gov> Sent: Tuesday, February 11, 2020 9:49 AM To: computing(a)anl.gov <computing(a)anl.gov> Subject: CMake Workshop? Dear all, I am solicitating interest for CMake workshop onsite. If Argonne/ALCF hosts a CMake workshop we could request some features to be added to the CMake. If you are interested please answer the following question by the end of this week, Feb. 14th. 1. What features you would like to be added to CMake? 2. What topics would you like CMake workshop to cover? Please see last workshop for reference: https://exascaleproject.org/event/cmake-training/ 3. Would you like to attend one hour planning meeting to provide your feedback to CMake developers directly? If you have any questions please do not hesitate to ask. Thank you, -Yasi Yasaman Ghadar, PhD Assistant Computational Scientist ALCF Training ATEPSC Deputy Director Performance Engineering Team Argonne Leadership Computing Facility Room: 1C7 Phone: 630-252-1398 Email: ghadar(a)anl.gov -- Computing mailing list Computing(a)anl.gov https://lists.cels.anl.gov/mailman/listinfo/computing

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CMake Workshop?
by Ghadar, Yasaman 11 Feb '20

11 Feb '20

Dear all, I am solicitating interest for CMake workshop onsite. If Argonne/ALCF hosts a CMake workshop we could request some features to be added to the CMake. If you are interested please answer the following question by the end of this week, Feb. 14th. 1. What features you would like to be added to CMake? 2. What topics would you like CMake workshop to cover? Please see last workshop for reference: https://exascaleproject.org/event/cmake-training/ 3. Would you like to attend one hour planning meeting to provide your feedback to CMake developers directly? If you have any questions please do not hesitate to ask. Thank you, -Yasi Yasaman Ghadar, PhD Assistant Computational Scientist ALCF Training ATEPSC Deputy Director Performance Engineering Team Argonne Leadership Computing Facility Room: 1C7 Phone: 630-252-1398 Email: ghadar(a)anl.gov -- Computing mailing list Computing(a)anl.gov https://lists.cels.anl.gov/mailman/listinfo/computing

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