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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:...
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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.
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Back to School Webinar Series on Teaching with nanoHUB
Series | 06 Oct 2022
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.
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Hands-On Data Science and Machine Learning in Undergraduate Education
Courses | 07 Oct 2020 | Contributor(s):: Alejandro Strachan, Saaketh Desai, Juan Carlos Verduzco Gastelum, Michael N Sakano, Zachary D McClure, Joseph M. Cychosz, Jared Gray West
This series of modules introduce key concepts in data science in the context of application in materials science and engineering.
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Jul 22 2020
Webinar 1: Simulating electronic properties of materials using ab initio modeling tools
Summer 2020 Webinar SeriesUtilizing nanoHUB Tools for Materials Science EducationMany instructors of MSE courses have rapidly developed online learning modules in response to the COVID-19 pandemic....
https://nanohub.org/events/details/1858
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Rahul Kurup
https://nanohub.org/members/289016
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Cody Alexander Trevillian
https://nanohub.org/members/288235
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Henry Coefficient Simulator
Tools | 23 Oct 2019 | Contributor(s):: Julian C Umeh, Thomas A Manz
Calculate Henry's constant of several sites on a nanoporous material
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Uncertainty Quantification Tutorial using Jupyter Notebooks
Teaching Materials | 02 Oct 2018 | Contributor(s):: Ilias Bilionis
Increasing modeling detail is not necessarily correlated with increasing predictive ability. Setting modeling and numerical discretization errors aside, the more detailed a model gets, the larger the number of parameters required to accurately specify its initial/boundary conditions,...
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Take the nanoHUB Carbon Nanotube Dance Challenge!
Teaching Materials | 23 Jul 2018 | Contributor(s):: Tanya Faltens
This teaching resource provides background information on Carbon Nanotubes (CNTs), as well as instructions for simulating different chirality CNTs and interpreting the results.
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Understanding Fracture Behavior in Materials Using Cheese
Teaching Materials | 19 Jun 2018 | Contributor(s):: Jessica Anne Krogstad, Nicole E Johnson-Glauch, Kaitlin Tyler, Rachael Mansbach, Andrew Ferguson
This is a resource from the Girls Learning About Materials (GLAM) outreach camp run at the University of Illinois at Urbana-Champaign. The learning objectives for this activity are: Students will compare and contrast different types of fracture behavior (ductile/brittle). Students...
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Carbon Nanotube Worksheet
Collections |
27 Apr 2018 |
Posted by Tanya Faltens
https://nanohub.org/groups/nanowork/collections/resources-for-nano-link-2018-annual-meeting
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Comparing the Operation of p-i-n vs. p-n Junction Diodes Using PN Junction Lab in ABACUS
Teaching Materials | 23 Aug 2017 | Contributor(s):: André Schleife, Materials Science and Engineering at Illinois
In this activity, students use the PN Junction Lab simulation tool in ABACUS on nanoHUB to simulate different p-i-n or p-n diode structures. Plots of hole concentration and electric field as a function of position, along with the gand structure with and without applied bias, will be...
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Using DFT to Predict the Equilibrium Lattice Parameter and Bulk Modulus of Crystalline Materials
Teaching Materials | 23 Aug 2017 | Contributor(s):: André Schleife, Materials Science and Engineering at Illinois
This activity guides users through the use of DFT calculations with Quantum ESPRESSO in nanoHUB to calculate the total energy of a crystal structure. By varying the volume of the structure, and calculating the associated energies, the equilibirum structure can be found. Users are...
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Using DFT to Simulate the Band Structure and Density of States of Crystalline Materials
Teaching Materials | 23 Aug 2017 | Contributor(s):: André Schleife, Materials Science and Engineering at Illinois
In this activity, DFT is used to simulate the band structure and density of states of several crystalline semiconductors. Users are instructed in how to use the Bilbao Crystallographic Server to select a path through the Brillouin zone for each structure. This activity is adapted from an...
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Computer Modeling Module: Chemical Reaction Simulation using SIESTA
Teaching Materials | 23 Aug 2017 | Contributor(s):: Lan Li
This activity guides students through a module using the SIESTA DFT tool that is housed within the MIT Atomic Scale Modeling Toolkit on nanoHUB. Instructional videos, background reading, reminders and the assignment are included. Learning outcomes: Get familiar with SIESTA tool and activation...
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Carbon Nanotube Worksheet
Collections |
02 Aug 2017 |
Posted by Terrence Warren McGinnis
This worksheet has students describe the geometries and conductivity type of several different carbon nanotubes of differing chirality. CNT Bands can be used to simulate the structures...
https://nanohub.org/members/175498/collections/my-collections
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Carbon Nanotube Worksheet
Collections |
18 Jul 2017 |
Posted by Tanya Faltens
https://nanohub.org/groups/nanowork/collections/simulation-based-carbon-nanotube-lesson
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accompanying lessons?
Q&A|Closed | Responses: 5
These simulations look very interesting. Are there some additional materials you could share that would help other instructors use these in the classroom? Examples of student...
https://nanohub.org/answers/question/1840
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Jun 26 2016
nanoHUB Materials Simulation Workshop
U236·SUNDAY WORKSHOP: Enhancing Student Learning of Atomic Structure and Properties with nanoHUB Simulation Tools - Constructing Concepts from the Bottom...
https://nanohub.org/events/details/1472