Wednesday, March 8, 2023
8:00AM - 8:36AM
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M28.00001: Predicting solid-state synthesis recipes for computationally-designed materials
Invited Speaker:
Wenhao Sun
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Wednesday, March 8, 2023
8:36AM - 8:48AM
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M28.00002: Design Rules and Predictive Descriptor for High-Entropy Materials Design and Discovery
Liping Yu, Dibyendu Dey, Liangbo Liang
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Wednesday, March 8, 2023
8:48AM - 9:00AM
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M28.00003: Probabilistic Analysis of Entropy Stabilized Oxides using DFT and Machine Learning
Lily J Joyce, Kristen E Johnson, Christina M Rost, Kendra L Letchworth-Weaver
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Wednesday, March 8, 2023
9:00AM - 9:12AM
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M28.00004: A song of energy scales and technology: The elusive challenge of Heusler alloys
Adam Hauser, Ridwan Nahar, Ka Ming Law
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Wednesday, March 8, 2023
9:12AM - 9:24AM
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M28.00005: Electronic Properties and Phase Stability of Full and Inverse Heusler X2FeAl (X=20 transition metal elements) by First-Principle Calculations
Ka Ming Law, Ridwan Nahar, Sujan Budhathoki, Michael Zengel, Thomas Roden, Justin Lewis, Adam Hauser
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Wednesday, March 8, 2023
9:24AM - 9:36AM
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M28.00006: Machine Learning-Guided Discovery of Ternary Compounds Containing La, P, and Group 14 Elements
Weiyi Xia, Huaijun Sun, Chao Zhang, Ling Tang, Renhai Wang, Georgiy Akopov, Nethmi W Hewage, Kai-Ming Ho, Kirill Kovnir, Cai-Zhuang Wang
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Wednesday, March 8, 2023
9:36AM - 9:48AM
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M28.00007: High-throughput Design of Interfacial Perpendicular Magnetic Anisotropy at Materials Interfaces
Kesong Yang, Sicong Jiang
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Wednesday, March 8, 2023
9:48AM - 10:00AM
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M28.00008: Integrated machine learning assisted high-throughput discovery of novel magnetic double perovskite oxides
Shuping Guo, Jeroen van den Brink, Oleg Janson
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Wednesday, March 8, 2023
10:00AM - 10:12AM
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M28.00009: A data-driven interpretation of the stability of molecular crystals
Rose K Cersonsky, Michele Ceriotti
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Wednesday, March 8, 2023
10:12AM - 10:24AM
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M28.00010: Ab initio workflow for high-throughput multiferroic materials discovery
Francesco Ricci, Ella Banyas, Stephanie Mack, Jeffrey B Neaton
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Wednesday, March 8, 2023
10:24AM - 10:36AM
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M28.00011: First-principles prediction of the phase stability of high-entropy oxides
Francisco Marques dos Vieira, Ismaila Dabo, Saeed S I Almishal, Jon-Paul Maria, Sai Venkata Gayathri Ayyagari, Nasim Alem, Simon Gelin, Tara Karimzadeh Sabet
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Wednesday, March 8, 2023
10:36AM - 10:48AM
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M28.00012: Piezoelectric ferromagnetism in two-dimensional materials via computational materials screening
Kayahan Saritas, Sohrab Ismail-Beigi
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Wednesday, March 8, 2023
10:48AM - 11:00AM
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M28.00013: High-throughput computational screening of 2D materials for transverse thermoelectrics
Rifky Syariati, Hikaru Sawahata, Susumu Minami, Naoya Yamaguchi, Fumiyuki Ishii
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