ME 697R Lecture 8.4: Machine Learning Techniques - High Throughput Computation-Driven Material Discovery

By Xiulin Ruan

Mechanical Engineering, Purdue University, West Lafayette, IN

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Researchers should cite this work as follows:

  • Xiulin Ruan (2020), "ME 697R Lecture 8.4: Machine Learning Techniques - High Throughput Computation-Driven Material Discovery," https://nanohub.org/resources/33104.

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2004, Mechanical Engineering, Purdue University, West Lafayette, IN

ME 697R Lecture 8.4: Machine Learning Techniques - High Throughput Computation-Driven Material Discovery
  • Lecture 8.4: High throughput computation-driven material discovery 1. Lecture 8.4: High throughput c… 0
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  • High Throughput Computation-driven Discovery 2. High Throughput Computation-dr… 43.043043043043042
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  • Half Heusler (HH) Compounds 3. Half Heusler (HH) Compounds 124.39105772439106
    00:00/00:00
  • Step 1: Positive Formation Enthalpy 4. Step 1: Positive Formation Ent… 291.991991991992
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  • Step 2: Mechanical Stability 5. Step 2: Mechanical Stability 413.41341341341342
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  • High Throughput Computation 6. High Throughput Computation 454.7547547547548
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  • High throughput computation-driven discovery 7. High throughput computation-dr… 500
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  • High throughput computations-driven discovery 8. High throughput computations-d… 551.28461795128464
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  • High throughput computations-driven discovery 9. High throughput computations-d… 571.47147147147155
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  • High Throughput Materials Discovery 10. High Throughput Materials Disc… 671.50483817150484
    00:00/00:00
  • AFLOW Procedure 11. AFLOW Procedure 751.38471805138477
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  • Regression Methods 12. Regression Methods 795.02836169502837
    00:00/00:00
  • Bayesian Optimization 13. Bayesian Optimization 1110.0433767100435
    00:00/00:00
  • Bayesian Optimization 14. Bayesian Optimization 1206.2395729062396
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