Get your feet wet! An Introduction to the nanoHUB Simulation Environment

By Tanya Faltens1; The Micro Nano Technology - Education Center2

1. Network for Computational Nanotechnology, Purdue University, West Lafayette, IN 2. Pasadena City College, Pasadena ,CA

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Abstract

nanoHUB.org is a free online resource and community for nano educators and students that contains over 6000 multimedia resources including interactive simulation tools, learning modules, homework assignments, online lectures and full courses. This presentation will demonstrate some nanoHUB functionalities for educators and showcase a few interactive Jupyter notebooks, simulation tools and educational modules.

Accompanying Handout:
      nanoHUB Resource Handout

Featured nanoHUB Simulation Tools:
      Jupyter Notebook
      Crystal Viewer 2.3.4
      ab initio simulations with ORCA
      Protein Contact Maps
      Demo of Loading and Visualizing Proteins from the RCSB Protein Data Bank
      Machine Learning for Materials Science: Part 1

Other Featured Resources:
      Setting up Your nanoHUB File Structure in Jupyter Notebooks
      Hands-on Data Science and Machine Learning Training Series

Bio

Dr. Tanya Faltens is the Educational Content Creation Manager for the Network for Computational Nanotechnology (NCN), which created the open access nanoHUB.org cyber-platform to help advance the goals of the National Nanotechology Initiative (NNI). Her technical background is in Materials Science and Engineering (Ph.D. UCLA 2002). She has several years’ experience in hands-on informal science education (including working at the Lawrence Hall of Science at UC Berkeley), and in formal engineering instruction at Cal Poly Pomona. She has managed the NCN Undergraduate Research Experience (URE) program at Purdue University since 2014.

Sponsored by

The Micro Nano Technology Education Center (MNT-EC)

Cite this work

Researchers should cite this work as follows:

  • Tanya Faltens, The Micro Nano Technology - Education Center (2021), "Get your feet wet! An Introduction to the nanoHUB Simulation Environment," https://nanohub.org/resources/35548.

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Tags

  1. ATE Centers
  2. Crystal Viewer lab
  3. e-science
  4. hands on
  5. MNT-EC
  6. ORCA
  7. Simulation
Get your feet wet! An Introduction to the nanoHUB Simulation Environment
  • Get your feet wet!  Introduction to the nanoHUB Simulation Environment 1. Get your feet wet!  Introduct… 0
    00:00/00:00
  • Overview 2. Overview 86.252919586252929
    00:00/00:00
  • What is nanoHUB? 3. What is nanoHUB? 150.78411745078412
    00:00/00:00
  • An open-access cyberinfrastructure 4. An open-access cyberinfrastruc… 154.98832165498834
    00:00/00:00
  • A library of STEM resources 5. A library of STEM resources 249.98331664998332
    00:00/00:00
  • A Simulation Toolbox 6. A Simulation Toolbox 283.616950283617
    00:00/00:00
  • A Workspace 7. A Workspace 319.98665331998666
    00:00/00:00
  • A Publishing Platform 8. A Publishing Platform 343.6102769436103
    00:00/00:00
  • A Scientific Community 9. A Scientific Community 407.67434100767434
    00:00/00:00
  • Come on in, the water's fine! 10. Come on in, the water's fine! 455.52218885552219
    00:00/00:00
  • QR Code for the Handout 11. QR Code for the Handout 466.7334000667334
    00:00/00:00
  • Fun with Carbon Nanostructures 12. Fun with Carbon Nanostructures 511.61161161161164
    00:00/00:00
  • Fun with Carbon Nanostructures 13. Fun with Carbon Nanostructures 540.14014014014015
    00:00/00:00
  • Fun with Carbon Nanostructures 14. Fun with Carbon Nanostructures 556.62328995662335
    00:00/00:00
  • Fun with Carbon Nanostructures 15. Fun with Carbon Nanostructures 562.29562896229561
    00:00/00:00
  • Crystal Viewer 2.3.4 16. Crystal Viewer 2.3.4 567.16716716716724
    00:00/00:00
  • Ethene Vibrational Modes 17. Ethene Vibrational Modes 1110.5772439105772
    00:00/00:00
  • ab initio simulations with ORCA 18. ab initio simulations with ORC… 1140.9409409409409
    00:00/00:00
  • Ubiquitin (1UBQ) 19. Ubiquitin (1UBQ) 1163.9973306639974
    00:00/00:00
  • Immunoglobulin G (1IGT) 20. Immunoglobulin G (1IGT) 1316.6833500166833
    00:00/00:00
  • Protein Contact Maps 21. Protein Contact Maps 1365.9993326659994
    00:00/00:00
  • Immunoglobulin G (1IGT) 22. Immunoglobulin G (1IGT) 1796.3296629963297
    00:00/00:00
  • Demo of Loading and Visualizing Proteins from the RCSB Protein Data Bank 23. Demo of Loading and Visualizin… 1823.6236236236236
    00:00/00:00
  • Jupyter notebooks in nanoHUB 24. Jupyter notebooks in nanoHUB 2399.3993993993995
    00:00/00:00
  • Jupyter Kernels, Libraries, & Packages 25. Jupyter Kernels, Libraries, & … 2402.5025025025025
    00:00/00:00
  • nanoHUB Provides Connections to Data 26. nanoHUB Provides Connections t… 2492.4924924924926
    00:00/00:00
  • Managing your Jupyter notebooks 27. Managing your Jupyter notebook… 2550.8508508508507
    00:00/00:00
  • biopython Tutorial 28. biopython Tutorial 2598.7320653987322
    00:00/00:00
  • Mendeleev Periodic Table Tutorial 29. Mendeleev Periodic Table Tutor… 2819.185852519186
    00:00/00:00
  • Machine Learning for Materials Science 30. Machine Learning for Materials… 3121.0210210210212
    00:00/00:00
  • Introduction to Machine Learning for Material Science 31. Introduction to Machine Learni… 3168.3016349683016
    00:00/00:00
  • Hands-on Data Science and Machine Learning Training 32. Hands-on Data Science and Mach… 3189.055722389056
    00:00/00:00
  • Video tutorials to accompany the mseml notebooks 33. Video tutorials to accompany t… 3208.3083083083084
    00:00/00:00
  • Question 34. Question 3239.9065732399067
    00:00/00:00
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