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Chemical and Physical Properties of Endohedrally Doped Nanodiamonds
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
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
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
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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Henry Coefficient Simulator
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
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!
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
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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Using DFT to Predict the Equilibrium Lattice Parameter and Bulk Modulus of Crystalline 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
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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Comparing the Operation of p-i-n vs. p-n Junction Diodes Using PN Junction Lab in ABACUS
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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Computer Modeling Module: Chemical Reaction Simulation using SIESTA
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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nanoHUB Simulation Activity - Orientations of Common Single Crystal Substrates
07 Jun 2016 | | Contributor(s):: Tanya Faltens
NEW Version 2! (10/17/16) Now includes a link to the saved set of simulations, that can be shared instantly with any nanoHUB user. Other minor edits to update the activity and fix errors. In this activity, you will use Crystal Viewer to create crystal structures with surfaces that are...
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Framework for Evaluating Simulations: Analysis of Student Developed Interactive Computer Tool
25 Jun 2015 | | Contributor(s):: Kelsey Joy Rodgers, Heidi A Diefes-Dux, Yi Kong, Krishna Madhavan
This is the presentation for a paper presented at the 2015 annual American Society of Engineering Education (ASEE) conference. The paper discusses a developed framework for evaluating and scaffolding student-developed simulations in an open-ended learning environment. The full paper...
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Enhancing your Micro and Nano Technology Courses with Free nanoHUB Resources and Simulations
12 May 2015 | | Contributor(s):: Tanya Faltens
This presentation given at a workshop in the 2014 MNT (Micro Nano Technology) Conference in Albuquerque, New Mexico, provides an overview of nanoHUB resources that will be useful for MNT Educators. The Education Page, nanoHUB-U, Group Functionalities, collections, Learning Communities,...
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Mathematical Models and Simulations Workshop Presentation
10 Mar 2015 | | Contributor(s):: Kelsey Joy Rodgers, Heidi A Diefes-Dux, Krishna Madhavan, Yi Kong
Developing engineers for a changing world presents a greater need for students to understand simulations. Understanding mathematical models and simulations are skills that all engineers need for industry and research, but many engineering students lack a conceptual understanding of how to develop...
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Framework for Evaluating Simulations: Analysis of Student Developed Interactive Computer Tools
21 Jul 2014 | | Contributor(s):: Kelsey Joy Rodgers, Heidi A Diefes-Dux, Krishna Madhavan
Computer simulations are discussed in the learning environment from two major perspectives: 1) teaching students how to build simulations and 2) developing simulations to teach students targeted concepts. This study is approaching learning with simulations from a different perspective. We are...
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Engineering and Science Instructors' Intended Learning Outcomes with Computational Simulations as Learning Tools
26 Feb 2013 | | Contributor(s):: Alejandra J. Magana
This presentation describes the results of a study aiming to identify how 14 instructors incorporated into their classrooms computational simulations as learning tools. The study was based on the following research question: What were the intended learning outcomes that guided the instructors'...
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Opportunities for Integrating nanoHUB Computational Simulations as Learning Tools
25 Feb 2013 | | Contributor(s):: Alejandra J. Magana
This presentation introduces a research agenda that focuses on identifying how to provide: (i) instructors with educational resources to help them better integrate nanoHUB computational simulation tools into their teaching and (ii) learners with adequate scaffolds (supports) to use computational...
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Students Perceptions and Experiences of Using Computational Simulations as Learning Tools
25 Feb 2013 | | Contributor(s):: Alejandra J. Magana
This presentation summarizes the results of three research studies aiming to investigate students perceptions and experiences of using computational simulations as learning tools. The three guiding research questions were: (i) how do students with different academic level experience nanoHUB...