Monday, March 5, 2018
11:15AM - 11:51AM
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B34.00001: Data-driven Molecular Engineering of Solar-Powered Windows using Materials Database Auto-Generation Tools with Large-Scale Data-Mining
Invited Speaker:
Jacqueline Cole
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Monday, March 5, 2018
11:51AM - 12:03PM
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B34.00002: ALCF Data Science and Machine Learning Programs: From Petascale to Exascale
Nichols Romero, Elise Jennings, Álvaro Vázquez-Mayagoitia, Venkatram Vishwanath, Timothy Williams
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Monday, March 5, 2018
12:03PM - 12:15PM
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B34.00003: Towards Real-Time Analysis of Morphologies using Scattering
Alexander Hexemer, Ronald Pandolfi, Dinesh Kumar, Harinarayan Krishnan, James Sethian
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Monday, March 5, 2018
12:15PM - 12:27PM
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B34.00004: Atom-based polychromatic diffraction pattern predictions for ultra-fast time-resolved experiemnts with large scale GPU-accelerated parallel simulation code
Juncheng E, Yiyang Zhang, Sen Chen, Sheng-Nian Luo
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Monday, March 5, 2018
12:27PM - 12:39PM
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B34.00005: New Insights into the Geometric State for Two-Fluid Porous Medium Systems
James McClure, Ryan Armstrong, Mark Berrill, Steffen Schlüter, Steffen Berg, Cass Miller, William Gray
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Monday, March 5, 2018
12:39PM - 12:51PM
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B34.00006: Increased productivity with real time atomistic simulations using Atomify
Anders Hafreager, Svenn-Arne Dragly, Anders Malthe-Sørenssen
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Monday, March 5, 2018
12:51PM - 1:03PM
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B34.00007: Automated Reaction Discovery from Combined Application of Transition State Search Algorithms
Colin Grambow, Adeel Jamal, Yi-Pei Li, Judit Zádor, Yury Suleimanov, William Green
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Monday, March 5, 2018
1:03PM - 1:15PM
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B34.00008: Predictive Automated Combustion Chemistry: Massively Parallel High-Accuracy Thermochemistry
Murat Keceli, Sarah Elliott, Yi-Pei Li, Matt Johnson, Carlo Cavallotti, Justin Wozniak, Yuri Georgievskii, Ahren Jasper, William Green, Stephen Klippenstein
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Monday, March 5, 2018
1:15PM - 1:27PM
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B34.00009: High-Throughput Phonon Calculations With the Real-Space Multigrid Method (RMG)
Jiayong Zhang, Wenchang Lu, Emil Briggs, Yongqiang Cheng, Anibal Ramirez-Cuesta, Jerry Bernholc
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Monday, March 5, 2018
1:27PM - 1:39PM
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B34.00010: Theory of Band Gaps in Amorphous Nano-porous SiC
Tyler Summers, Blair Tuttle, Andrew O'hara, Sokrates Pantelides
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Monday, March 5, 2018
1:39PM - 1:51PM
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B34.00011: Subgroup Discovery for Finding Interpretable Local Patterns in Data from Materials-Science
Bryan Goldsmith, Mario Boley, Christopher Sutton, Jilles Vreeken, Matthias Scheffler, Luca Ghiringhelli
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Monday, March 5, 2018
1:51PM - 2:03PM
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B34.00012: Variational Monte Carlo Study of the Two-Dimensional Hubbard Model Using Slater-Jastrow Wave Functions
Jeong-Pil Song, Leonard Sprague, Chia-Chen Chang, Brenda Rubenstein
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Monday, March 5, 2018
2:03PM - 2:15PM
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B34.00013: Improving efficiency of the continuous-time quantum Monte Carlo
Mancheon Han, Hyoung Joon Choi
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