Thursday, March 8, 2018
8:00AM - 8:12AM
|
|
R12.00001: Extensive deep neural networks for 2d materials
Iryna Luchak, Kyle Mills, Kevin Ryczko, Adam Domurad, Christopher Beeler, Isaac Tamblyn
|
Thursday, March 8, 2018
8:12AM - 8:24AM
|
|
R12.00002: What can one learn about material structure given a single first-principles calculation?
Sinisa Coh, Nicholas Rajen
|
Thursday, March 8, 2018
8:24AM - 8:36AM
|
|
R12.00003: Utilizing Convolutional Neural Networks to Predict Properties of Inorganic Compounds
Cheol Woo Park, Christopher Wolverton
|
Thursday, March 8, 2018
8:36AM - 9:12AM
|
|
R12.00004: Machine Learning and Materials Discovery
Invited Speaker:
Gus Hart
|
Thursday, March 8, 2018
9:12AM - 9:24AM
|
|
R12.00005: Accelerated Discovery of Quaternary Heusler with High-Throughput Density Functional Theory and Machine Learning
Kyoungdoc Kim, Logan Ward, Jiangang He, Amar Krishna, Ankit Agrawal, Peter Voorhees, Christopher Wolverton
|
Thursday, March 8, 2018
9:24AM - 9:36AM
|
|
R12.00006: Statistical Learning of Kinetic Monte Carlo Models of Complex Chemistry from Molecular Dynamics
Qian Yang, Enze Chen, Muralikrishna Raju, Evan Reed
|
Thursday, March 8, 2018
9:36AM - 9:48AM
|
|
R12.00007: In Situ Multiobjective Genetic-Algorithm Workflow for Training and Uncertainty Quantification of Reactive Molecular-Dynamics Force Fields
Ankit Mishra, Sungwook Hong, Pankaj Rajak, Chunyang Sheng, Kenichi Nomura, Rajiv Kalia, Aiichiro Nakano, Priya Vashishta
|
Thursday, March 8, 2018
9:48AM - 10:00AM
|
|
R12.00008: 3D Scattering Transform Representation of Materials: From Molecules to Crystals
Andrew Nguyen, Chandramouli Nyshadham, Conrad Rosenbrock, Gus Hart
|
Thursday, March 8, 2018
10:00AM - 10:12AM
|
|
R12.00009: Determining Nanoscale Structures from Pair Distribution Function and Density Functional Theory via Multi-Objective Optimization
Spencer Hills, Fatih Sen, Alper Kinaci, Maria Chan
|
Thursday, March 8, 2018
10:12AM - 10:24AM
|
|
R12.00010: GAtor: A First Principles Genetic Algorithm for Molecular Crystal Structure Prediction
Farren Curtis, Xiayue Li, Timothy Rose, Alvaro Vazquez-Mayagoitia, Saswata Bhattacharya, Luca Ghiringhelli, Noa Marom
|
Thursday, March 8, 2018
10:24AM - 10:36AM
|
|
R12.00011: Bayesian optimization of layered transition metal dichalcogenide hetero-structures
Pankaj Rajak, Lindsay Bassman, Aiichiro Nakano, Rajiv Kalia, Priya Vashishta, Fei Sha, David Singh
|
Thursday, March 8, 2018
10:36AM - 10:48AM
|
|
R12.00012: Genetic Algorithms and DFT in the Search for Novel Stable and Metastable Crystal Structures of the Uranium Oxides
Ashley Shields, Andrew Miskowiec, Brian Anderson
|
Thursday, March 8, 2018
10:48AM - 11:00AM
|
|
R12.00013: Prediction of novel metallic carbon and silicon allotropes using an inverse material design method
Ha-Jun Sung, Sunghyun Kim, Woo Hyun Han, In-Ho Lee, Kee Joo Chang
|
