All Categories (1-15 of 15)

1. Nov 07 2023

   Hands-On Workshop in nanoHUB: Machine Learning Models for Ionic Conductivity with Schrödinger's AutoQSAR

   Hands-On Workshop in nanoHUB: Machine Learning Models for Ionic Conductivity with Schrödinger's AutoQSARSpeaker: Michael Rauch, Principal Scientist, SchrödingerDate: Nov. 7,...

   https://nanohub.org/events/details/2397

2. Oct 31 2023

   Machine Learning for Materials Science with Schrödinger

   Machine Learning for Materials Science with SchrödingerSpeaker: Anand Chandrasekaran, Principal Scientist, SchrödingerDate: Oct 31, 2023 1:00 PM EST Click here to...

   https://nanohub.org/events/details/2396

3. Schrödinger Materials Science AutoQSAR for Machine Learning

   11 Sep 2023 |

   Build quantitative structure-activity relationships (QSAR) automatically for molecular systems with Schrödinger's AutoQSAR tool

4. Simulating Precipitate Morphology using a Phase Field Model

   01 Dec 2019 | | Contributor(s):: Susan P Gentry, Stephen DeWitt, Mingwei Zhang

   For this activity, students investigate how precipitate morphology is affected by materials parameters such as anisotropic interfacial energy and misfit strain. They vary the materials parameters in a series of simulations utilizing the nanoHUB tool PRISMS-PF...

5. Jun 16 2019

   Hands-on workshop: Introduction to using nanoHUB’s free online computational materials simulations for undergraduate education

   A recent survey asked department chairs, faculty, and employers in the Materials Science field to rate the importance of incorporating Computational Materials Science and Engineering (CMSE) into...

   https://nanohub.org/events/details/1778

6. Scaffolding Simulations in a Rate Processes of Materials Course

   16 Aug 2018 | | Contributor(s):: Susan P Gentry

   This learning resource describes a set of programming assignments that are used in a Rate Processes of Materials course. The assignments are designed around the pedagogical principle of scaffolding, in which students are given initial support structures that are gradually removed. The...

7. 

   Bartlett Sheinberg

   https://nanohub.org/members/201601

8. Fracture Behavior (with Cheese!)

   21 Jun 2018 | | Contributor(s):: Jessica Anne Krogstad

   This presentation introduces fracture behavior of materials with historical context.  Several common fracture mechanisms are introduced in the context of fracture surfaces.   We also provide examples of common testing configurations relevant to the companion lab...

9. 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...

10. 

    Akshat Saraf

    Chemistry PhD Student at Georg August Universität GöttingenUsing computational chemistry to better inform electrochemical experiments

    https://nanohub.org/members/190860

11. Feedback and Suggestions for this Activity

    Q&A|Closed | Responses: 6

    Greetings!

    If you have used "Visualizing Crystal Structures: An interactive group classroom activity" personally,...

    https://nanohub.org/answers/question/1893

12. Visualizing Crystal Structures: An interactive group classroom activity

    11 Nov 2016 | | Contributor(s):: Susan Gentry, Tanya Faltens

    OverviewThis learning activity guides students through the visualization of three-dimensional crystal structures using the software package Ovito. Students work in groups manipulating crystal structures on their personal computers, ranking the planar densities of the (100), (110), and...

13. How to View Atomic Planes in FCC, NaCl and Simple Cubic Structures using Crystal Viewer

    27 Oct 2016 | | Contributor(s):: Tanya Faltens

    This step by step guide shows how to view atomic planes in some common crystal structures. The crystal structures can be sliced along the planes, and the atomic packing of each plane investigated.  Examples are given for viewing the (110) plane in an FCC metal structure, the (100)...

14. 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...

15. Muddiest Point Tensile Test

    Collections | 01 Mar 2016 | Posted by Tanya Faltens

    https://nanohub.org/groups/materials/collections/videos--tensile-testing-dislocations-plastic-deformation