2012 - Krell Institute

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THE ANNUAL DEIXIS DEIXIS, The DOE CSGF Annual is published by the Krell Institute. Krell administers the Department of Energy Computational Science Graduate Fellowship (DOE CSGF) program for the DOE under contract DE-FG02-97ER25308. For additional information about the DOE CSGF program, the Krell Institute or topics covered in this publication, please contact: 9 13 Editor, DEIXIS Krell Institute 1609 Golden Aspen Drive, Suite 101 Ames, IA 50010 (515) 956-3696 www.krellinst.org/csgf Copyright 2012 Krell Institute. All rights reserved. DEIXIS (ΔΕΙΞΙΣ — pronounced dāksis) transliterated from classical Greek into the Roman alphabet, means a display, mode or process of proof; the process of showing, proving or demonstrating. DEIXIS can also refer to the workings of an individual’s keen intellect, or to the means by which such individuals, e.g. DOE CSGF fellows, are identified. DEIXIS is an annual publication of the Department of Energy Computational Science Graduate Fellowship program that highlights the work of fellows and alumni. The DOE CSGF is funded by the Office of Science and the National Nuclear Security Administration’s Office of Defense Programs. Cover art and images on pages 5 and 9 appear courtesy of the U.S. Department of Energy’s National Renewable Energy Laboratory. Editor Shelly Olsan Senior Science Writer Thomas R. O’Donnell Publication Coordinator Lisa Frerichs Design julsdesign, inc. PRIMED TO MEET PRIORITIES The Department of Energy Computational Science Graduate Fellowship was established to train scientists who can apply the United States’ growing computational power to important national needs, including those of the DOE. This issue of DEIXIS provides examples of how fellows and alumni do just that. For example, the department emphasizes the rapid development of innovative materials for clean energy production and conservation. Fellow Anubhav Jain, profiled in this issue, helps drive that research with the Materials Project, a database of calculated compound properties. The DOE CSGF also addresses the rising demand for scientists capable of implementing and using exascale computers – machines capable of a million trillion (10 18 ) calculations per second – expected to come on line later in this decade. Fellows Brian Lockwood and Hayes Stripling research uncertainty quantification, a key tool for maximizing exascale potential. The fellowship meets these goals with a unique program that creates well-rounded students and exposes them to avenues outside their immediate field. This cross-pollination often results in surprising insights and lasting collaborations, as in the partnership of statistician Eric Chi and applied mathematician Tamara Kolda. These are just a few examples of DOE CSGF fellows and alumni working to attack the issues facing us in the years ahead. Copy Editor Ron Winther P2 DEIXIS 12 DOE CSGF ANNUAL
TABLE OF CONTENTS 20 22 26 4 Practicum Profiles Not Your Usual Summer Internship 20 Alumni Profiles Alumni Span the Globe 26 Winning Essays Encouraging Communication 5 Anubhav Jain Research Could Illuminate Promising Photovoltaics 9 Brian Lockwood Fellow Probes Probability in Quantification Quest 20 Jeffrey Hittinger Livermore Alumnus Fields Hard Problems and Hockey Pucks 22 Richard Katz Delving into the Deep Earth 26 Kenley Pelzer, Winner A Place in the Sun 28 Paul M. Sutter, Honorable Mention A New View on Old Light 13 Eric Chi Movie Challenge Sparks Practicum – and a Sequel 17 Hayes Stripling IV Sampling Surrogates to Weigh Uncertainty 24 Jimena Davis Tackling Uncertainty in Chemical Vulnerability 30 Howes Scholars Saluted for Research and Service 32 Directory 32 Fellows 36 Alumni 28 DEIXIS 12 DOE CSGF ANNUAL P3
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2012 - Krell Institute

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