APS March Meeting 2020
Volume 65, Number 1
Monday–Friday, March 2–6, 2020;
Denver, Colorado
Session Index
Session W43: Computational Design and Discovery of Novel Materials VI: Machine Learning and High Throughput Computing
Focus Session
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Show Abstracts |
Sponsoring Units: DCOMP DMP
Chair: Yuanxi Wang, Pennsylvania State University
Room: 702
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W43.00001: New tools for detecting strong correlation in automated transition metal complex screening
Invited Speaker:
Fang Liu
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W43.00002: High-throughput Design of Lead-free Organic-inorganic Lead Halide Semiconductors Beyond Perovskites
Kesong Yang, Yuheng Li
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W43.00003: Perovskite Genomics: Optimizing the performance of large sets of perovskite materials with atomistic simulations
Gianaurelio Cuniberti, Hagen Eckert, Florian Pump, Josua Vieten, Martin Roeb, Christian Sattler
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W43.00004: Computational discovery of semiconducting high-entropy chalcogenide alloys
Zihao Deng, Logan Williams, Guangsha Shi, Emmanouil Kioupakis
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W43.00005: High-throughput discovery of metal-organic frameworks for cooperative CO2 adsorption
Eric Taw, Jeffrey R Long, Jeffrey B Neaton, Maciej Haranczyk
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W43.00006: Machine Learning Accelerated Discovery of Mixed Anion Materials
Jiahong Shen, Cheol Woo Park, Jiangang He, Christopher Mark Wolverton
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W43.00007: High-throughput Computational Study of Double Perovskite Oxides
Jiangang He, Christopher Mark Wolverton
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W43.00008: Automated phase mapping of high throughput X-ray diffraction data
Yizhou Zhu, Christopher Mark Wolverton
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W43.00009: High-throughput Exploration of Ternary Electrides
John Lasseter, Mina Yoon
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W43.00010: High-throughput screening and classification of layered di-metal chalcogenides
Jinchen Wei, Chao Wang, Tao Zhang, Chenmin Dai, Shiyou Chen
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W43.00011: Effect of a Parameter in a Descriptor on the Efficiency of a Crystal Structure Search Using Bayesian Optimization
Nobuya Sato, Tomoki Yamashita, Tamio Oguchi, Koji Hukushima, Takashi Miyake
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W43.00012: An active-learning framework for the discovery of new crystalline materials
Kirsten Winther, Raul Flores, Christopher Paolucci, Ankit Jain, Michal Bajdich, Thomas bligaard
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W43.00013: Unraveling nanoscale features controlling the diffusion of multi-component alloys through machine learning methods
S. Mohadeseh Taheri-Mousavi, S. Sina Moeini-Ardakani, Ryan W. Penny, Ju Li, John Hart
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