Stanford Materials Computation and Theory Group, Qian Yang's lab at the University of Connecticut
10 episodes
5 months ago
We discuss the paper Learning from Failure: Predicting Electronic Structure Calculation Outcomes with Machine Learning Models with the author Prof. Heather J. Kulik. Papers discussed in this episode: (Main discussion) Duan, C.; Janet, J. P.; Liu, F.; Nandy, A.; Kulik, H. J. Learning from Failure: Predicting Electronic Structure Calculation Outcomes with Machine Learning Models. J. Chem. Theory Comput. 2019, 15 (4), 2331–2345. https://doi.org/10.1021/acs.jctc.9b00057.(More on uncertainty metr...
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We discuss the paper Learning from Failure: Predicting Electronic Structure Calculation Outcomes with Machine Learning Models with the author Prof. Heather J. Kulik. Papers discussed in this episode: (Main discussion) Duan, C.; Janet, J. P.; Liu, F.; Nandy, A.; Kulik, H. J. Learning from Failure: Predicting Electronic Structure Calculation Outcomes with Machine Learning Models. J. Chem. Theory Comput. 2019, 15 (4), 2331–2345. https://doi.org/10.1021/acs.jctc.9b00057.(More on uncertainty metr...
Paper interview - Screening billions of candidates for solid lithium-ion conductors: A transfer learning approach for small data
Materials and Megabytes
23 minutes
6 years ago
Paper interview - Screening billions of candidates for solid lithium-ion conductors: A transfer learning approach for small data
We discuss the paper Screening billions of candidates for solid lithium-ion conductors: A transfer learning approach for small data with the authors Dr. Ekin Dogus Cubuk and Dr. Austin D. Sendek. Papers discussed in the episode: Cubuk, E. D.; Sendek, A. D.; Reed, E. J. Screening Billions of Candidates for Solid Lithium-Ion Conductors: A Transfer Learning Approach for Small Data. J. Chem. Phys. 2019, 150 (21), 214701. https://doi.org/10.1063/1.5093220.Sendek, A. D.; Yang, Q.; D. Cubuk, E.; N....
Materials and Megabytes
We discuss the paper Learning from Failure: Predicting Electronic Structure Calculation Outcomes with Machine Learning Models with the author Prof. Heather J. Kulik. Papers discussed in this episode: (Main discussion) Duan, C.; Janet, J. P.; Liu, F.; Nandy, A.; Kulik, H. J. Learning from Failure: Predicting Electronic Structure Calculation Outcomes with Machine Learning Models. J. Chem. Theory Comput. 2019, 15 (4), 2331–2345. https://doi.org/10.1021/acs.jctc.9b00057.(More on uncertainty metr...
