Friday, March 18, 2022
11:30AM - 12:06PM
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Z32.00001: The interplay between quantum computing and reinforcement learning
Invited Speaker:
Vedran Dunjko
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Friday, March 18, 2022
12:06PM - 12:18PM
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Z32.00002: Development of machine learning framework to fit quantum-mechanical ab-initio potential energy surface to a cite-cite molecular potential
Bhanuday Sharma, Savitha Pareek, Ashish K Singh, Rakesh Kumar
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Friday, March 18, 2022
12:18PM - 12:30PM
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Z32.00003: Machine learning the saling property of density functionals via data augmentation
Weiyi Gong, Tao Sun, Peng Chu, Hexin Bai, Anoj Aryal, Shah Tanvir-Ur-Rahman Chowdhury, Jie Yu, Haibin Ling, John P Perdew, Qimin Yan
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Friday, March 18, 2022
12:30PM - 12:42PM
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Z32.00004: Benchmarking Descriptors, Models, and Systems for Many-Body Machine Learned Force Fields in Molten Transition Metals
Cameron J Owen, Steven B Torrisi, Isabel Diersen, Lixin Sun, Jin Soo Lim, Yu Xie, Jonathan P Vandermause, Boris Kozinsky
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Friday, March 18, 2022
12:42PM - 12:54PM
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Z32.00005: Zirconium Machine Learned Potential Trained on a Euclidean Neural Network
Vanessa J Meraz, Sofia G Gomez, Valeria I Arteaga Muniz, Adrian De la Rocha Galán, Tess E Smidt, Sara Kadkhodaei, Wibe A de Jong, Jorge A Munoz
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Friday, March 18, 2022
12:54PM - 1:06PM
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Z32.00006: A machine learning-based interatomicpotential for Fe using marginalized graph kernels
Valeria I Arteaga Muniz, Adrian De la Rocha Galán, Vanessa J Meraz, Yu-Hang Tang, Ramon J Ravelo, Wibe A de Jong, Jorge A Munoz
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Friday, March 18, 2022
1:06PM - 1:18PM
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Z32.00007: TitleOptimization of prediction model for elastic constants of high entropy alloys by using LIDG method
Genta Hayashi, Katsuhiro Suzuki, Tomoyuki Terai, Kazunori Sato
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Friday, March 18, 2022
1:18PM - 1:30PM
Withdrawn
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Z32.00008: Building Chemical Property Models for Energetic Materials from Small Datasets using a Transfer Learning Approach
Brian C Barnes, Joshua L Lansford, Betsy M Rice, Klavs F Jensen
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Friday, March 18, 2022
1:30PM - 1:42PM
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Z32.00009: Deep Learning Analysis of Polaritonic Wave Images
Suheng Xu, Alexander S McLeod, Xinzhong Chen, Daniel J Rizzo, Bjarke S Jessen, Ziheng Yao, Zhicai Wang, Zhiyuan Sun, Sara Shabani, Abhay N Pasupathy, Andrew J Millis, Cory R Dean, James C Hone, Mengkun Liu, Dmitri N Basov
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Friday, March 18, 2022
1:42PM - 1:54PM
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Z32.00010: Thermal Transport with Message Passing Neural Networks via the Green-Kubo Method
Marcel F Langer, Florian Knoop, Christian Carbogno, Matthias Scheffler, Matthias Rupp
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Friday, March 18, 2022
1:54PM - 2:06PM
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Z32.00011: Reducing Optimal Training Set Design with Many-Body Repulsive Potentials for High Accuracy Density-Functional Tight Binding Models
Huy Pham, Rebecca K Lindsey, Laurence E Fried, Nir Goldman
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Friday, March 18, 2022
2:06PM - 2:18PM
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Z32.00012: Modeling of Lithium Dendrite Growth in Ionic Liquids with Lattice Monte Carlo Simulation Method and Deep Neural Networks
Tong Gao, Issei Nakamura
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