Back to School Webinar Series on Teaching with nanoHUB

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Abstract

These webinars are opportunities to learn from faculty who use nanoHUB in their classes and research. The webinars will generally focus on using nanoHUB simulation apps and assignments or aspects of teaching or doing research using nanoHUB resources.

Future webinars: Registration and online compute resources are free of charge.

Sponsored by

Network for Computational Nanotechnology (NCN)

Cite this work

Researchers should cite this work as follows:

  • (2022), "Back to School Webinar Series on Teaching with nanoHUB," https://nanohub.org/resources/36498.

    BibTex | EndNote

Tags

  1. computational chemistry
  2. computational materials science
  3. simulation-based learning
  4. teaching and learning
  5. teaching simulation

In This Series

  1. Hands-on Teaching with Jupyter Notebooks on nanoHUB

    Online Presentations | 04 Oct 2022 | Contributor(s): Michael Earl Reppert

    Dr. Reppert will discuss his use of nanoHUB Jupyter Notebook-based content in college Chemistry courses, focusing on nanoHUB's unique possibilities for hands-on simulation, visualization, and programming projects.

  2. Introduction to a Basic Machine Learning Workflow for Predicting Materials Properties

    Online Presentations | 04 Oct 2022 | Contributor(s): Benjamin Afflerbach

    This tutorial will introduce core concepts of machine learning through the lens of a basic workflow to predict material bandgaps from material compositions.

  3. The Materials Simulation Toolkit for Machine Learning (MAST-ML): Automating Development and Evaluation of Machine Learning Models for Materials Property Prediction

    Online Presentations | 06 Oct 2022 | Contributor(s): Ryan Jacobs

    Hands-on activities, we will use MAST-ML to (1) import materials datasets from online databases and clean and examine our input data, (2) conduct feature engineering analysis, including generation, preprocessing, and selection of features, (3) construct, evaluate and compare the performance of...

  4. Data Cleaning with MATLAB

    Online Presentations | 12 Oct 2022 | Contributor(s): Kelsey Joy Rodgers

    This workshop will go over MATLAB built-in functions (readcell and writecell) to import data from Excel and export data to Excel.

  5. Introduction to Computational Chemistry Using the NUITNS Simulation Toolkit in nanoHUB

    Online Presentations | 06 Oct 2022 | Contributor(s): Tomekia Simeon

    In this seminar, Dr. Tomekia Simeon will describe how she has successfully used computational chemistry assignments in her undergraduate chemistry courses at Dillard University using nanoHUB’s free online simulation resources.

  6. Chemical and Physical Properties of Endohedrally Doped Nanodiamonds

    Teaching Materials | 09 Nov 2022 | Contributor(s): Tomekia Simeon

    The semiempirical electronic structure Parametric Method 3 (PM3) at the nanoHUB.org website is introduced to the student in this assignment. In particular, this semiempirical method is applied to study dopant semiconductor materials intercalated in two types of nanodiamond (ND) complexes:...

  7. Teaching Electronic Structure Methods in Chemistry Using Simulation Tools in nanoHUB

    Online Presentations | 13 Oct 2022 | Contributor(s): Nicole Adelstein

    Participants will get hands-on practice with lessons on Hartree-Fock and basis sets using the nanoHUB tool ORCA and the opportunity to ask questions about teaching with nanoHUB.

  8. Introduction to DFT simulations in nanoHUB

    Presentation Materials | 06 Oct 2022 | Contributor(s): André Schleife

    In this webinar, I will briefly outline the fundamentals of this technique, and demonstrate applications to compute total energies, bulk modulus, and electronic structure/densities of states using Nanohub.

  9. A Condensed Matter Physics class and a Course-Based Undergraduate Research Experience (CURE) with the MIT Atomic-Scale Modeling Toolkit

    Online Presentations | 07 Nov 2022 | Contributor(s): David Strubbe

    In this presentation, Dr. Strubbe will discuss how he has been using the MIT Atomic-Scale Modeling Toolkit as a part of his undergraduate and graduate class on condensed matter physics. In discussion sections, simulations are performed to illustrate concepts like covalent bonding,...

  10. Density Functional Theory: Introduction and Applications

    Online Presentations | 07 Nov 2022 | Contributor(s): André Schleife

    In this webinar, Dr. Schleife will briefly outline the fundamentals of DFT, and demonstrate how to use Quantum Espresso in nanoHUB to compute electronic structure, electronic densities of state, total energies, and bulk modulus for example materials.

  11. Interactive Modeling of Materials with Density Functional Theory Using the Quantum ESPRESSO Interface within the MIT Atomic Scale Modeling Toolkit

    Online Presentations | 22 Nov 2022 | Contributor(s): Enrique Guerrero

    We will explore the Quantum ESPRESSO interface within the MIT Atomic-Scale Modeling Toolkit with interactive examples. We will review the basics of density functional theory and then focus on the tool’s capabilities.

  12. Teaching and Learning with the MIT Atomic Scale Modeling Toolkit's Classical and Quantum Atomic Modeling Applications

    Online Presentations | 23 Dec 2022 | Contributor(s): Enrique Guerrero

     We will perform molecular dynamics computations using LAMMPS, simple Monte Carlo simulations including the Ising model, and run quantum chemistry and density functional theory computations.