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Materials and Megabytes

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Exploring the development of machine learning for materials science, physics, and chemistry applications through conversation with researchers at the forefront of this growing interdisciplinary field. Brought to you in collaboration by the Stanford Materials Computation and Theory Group and Qian Yang's lab at the University of Connecticut.


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Recent Episodes

Turab Lookman (Season 2, Ep.4)
Our guest on this episode is Dr. Turab Lookman from Los Alamos National Laboratory. The interview took place at the 2018 MRS Fall meeting.Relevant papers:Gubernatis, J. E.; Lookman, T., Machine Learning in Materials Design and Discovery: Examples from the Present and Suggestions for the Future. Phys. Rev. Materials 2018, 2 (12), 120301., J. M.; Lookman, T.; Kalinin, S. V., Materials Informatics: From the Atomic-Level to the Continuum. Acta Materialia 2019, 168, 473–510., T.; Balachandran, P. V.; Xue, D.; Yuan, R. Active Learning in Materials Science with Emphasis on Adaptive Sampling Using Uncertainties for Targeted Design. npj Computational Materials 2019, 5 (1), 21., D.; Balachandran, P. V.; Hogden, J.; Theiler, J.; Xue, D.; Lookman, T., Accelerated Search for Materials with Targeted Properties by Adaptive Design. Nature Communications 2016, 7, 11241.
Patrick Riley (Season 2, Ep. 3)
Our guest on this episode is Dr. Patrick Riley from Google Accelerated Science.Some relevant papers and links:Riley, P., Practical advice for analysis of large, complex data sets. The Unofficial Google Data Science Blog, (2016)Zinkevich, M., Rules of Machine Learning: Best Practices for ML Engineering. (last updated Oct 2018)Wigner, E., The Unreasonable Effectiveness of Mathematics in the Natural Sciences. Communications in Pure and Applied Mathematics, doi:10.1002/cpa.3160130102 (1960)Gulshan, V., Peng, L, Coram, M., Development and Validation of a Deep Learning Algorithm for Detection of Diabetic Retinopathy in Retinal Fundus Photographs. The Journal of the American Medical Association, doi:10.1001/jama.2016.17216 (2016)Google Accelerated Science website:
O. Anatole von Lilienfeld (Season 2, Ep. 2)
Our guest for this episode is Prof. Dr. O. Anatole von Lilienfeld from the University of Basel.Some relevant papers:Huang, B., and von Lilienfeld, O. A., The ‘DNA’ of Chemistry: Scalable Quantum Machine Learning with ‘Amons.’ arXiv:1707.04146, (2017)Ramakrishnan, R., Dral, P. O., Rupp, M., and von Lilienfeld, O. A., Big Data Meets Quantum Chemistry Approximations: The Δ-Machine Learning Approach. Journal of Chemical Theory and Computation, doi:10.1021/acs.jctc.5b00099 (2015)Rupp, M., Tkatchenko, A., Müller, K.-R., and von Lilienfeld, O. A., Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning. Physical Review Letters, doi:10.1103/PhysRevLett.108.058301 (2012)Group website:
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Podcast Details
Jul 8th, 2018
Latest Episode
Apr 9th, 2019
Release Period
No. of Episodes
Avg. Episode Length
21 minutes

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