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Integrating Programming and Cheminformatics into the Molecular Science Curriculum: Resources from the Molecular Sciences Software Institute using nanoHUB
31 Jan 2024 | | Contributor(s):: Ashley Ringer McDonald
This presentation will describe open-source curriculum from the Molecular Sciences Software Institute (the MolSSI) to teach programming and cheminformatics using nanoHUB. The MolSSI is an NSF-funded institute that aims to improve software, education, and training in the computational molecular...
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Let's Talk Python: How to Explore Any Dataset in Python
05 Jun 2023 | | Contributor(s):: Trinity Chung, The Micro Nano Technology - Education Center
This workshop will guide you through how to explore any dataset using Python and the pandas library. This is an ideal place to learn if you are interested in being a scientist/engineer/analyst who often works with data.
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A Guided Tour of Interactive Jupyter Notebooks Powered by nanoHUB
20 Feb 2023 | | Contributor(s):: Daniel Mejia
In this presentation, we will take you on a guided tour of interactive Jupyter Notebooks powered by nanoHUB. Jupyter is a powerful tool for data science and scientific computing that provides an intuitive interface for a variety of programming languages; Jupyter in nanoHUB provides even more...
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Let's Talk Python: How to Program a Computer to do Anything!
24 Jan 2023 | | Contributor(s):: Trinity Chung, The Micro Nano Technology - Education Center
This presentation is designed for the absolute beginner. If you have never coded in any language, or never been exposed to the Python language, or just want a refresher- please come! This is a great place to get started with coding. For those with some experience, this...
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Data Cleaning with MATLAB
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.
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MATLAB Training for Undergraduate Research Students
17 Aug 2022 | | Contributor(s):: Kelsey Joy Rodgers
nanoHUB is excited to bring you MATLAB Training for Undergraduate Research Students with your host Kelsey Rodgers. Kelsey will guide you through the many functionalities of MATLAB and how it can be used for both research and educational purposes.
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Scientific Data Visualization using Python
09 Jun 2022 | | Contributor(s):: Jessica Nash, Ashley Ringer McDonald
This lecture looks at scientific data visualization using matplotlib, plotly, and visulizing molecular structures using scientific NGLView.
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Running a Python 3 Script in a nanoHUB Jupyter Notebook
01 May 2020 | | Contributor(s):: Tanya Faltens
This tutorial will show you how to create and run Python 3 code in a Jupyter notebook, rather than creating and running a Python script. We are working along with Chapter 1.8 “Writing a program” in the Python for Everybody course. In this lesson they execute a Python script that...
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A Gate-Level Approach To Compiling for Quantum Computers
20 Mar 2019 | | Contributor(s):: Henry G. Dietz
This talk will briefly present a computer engineer's view of quantum computing, overview our approach, describe the current state of the prototype compiler, and suggest some ways in which compiler automatic parallelization technology might be extended to allow ordinary programs to take...
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3 min. Research Talk: The Exciton Spectra Simulator of Photosynthetic Protein-pigment Complex
04 Feb 2019 | | Contributor(s):: Qifeng Chen
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3 min. Research Talk: Image Analysis of a Vesicle to Calculate the Bending Modulus
04 Feb 2019 | | Contributor(s):: Pheobe Jane Appel
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3 min. Research Talk: Phase Transforming Cellular Materials
04 Feb 2019 | | Contributor(s):: Valeria Grillo
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3 min. Research Talk: Computational Catalysis - Creating a User-Friendly Tool for Research and Education
31 Jan 2019 | | Contributor(s):: Kevin Greenman
Heterogeneous catalysis is used in a significant portion of production processes in the industrialized world, which makes maximizing the efficiency of catalysts a high priority. However, the immense number of candidates for new catalysts precludes the possibility of testing all of them by...
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3 min. Research Talk: Phase Transforming Cellular Materials Simulator
31 Jan 2019 | | Contributor(s):: Gavin Carter
Materials with multiple phases are able to experience a multitude of loading and unloading forces. How the materials reacts is in part due to its geometrical design, along with the material properties. In this project, PXCM’s are utilized for there versatility in design capabilities.
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Task-Graph and Functional Programming Models: The New Paradigm
04 Feb 2016 | | Contributor(s):: Ben Bergen
The Message Passing Interface (MPI) is an example of a distributed-memory communication model that has served us well through the CISC processor era. However, because of MPI's low-level interface, which requires the user to manage raw memory buffers, and its bulk-synchronous communication...
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ECE 595E Lecture 36: MEEP Tutorial II
30 Apr 2013 | | Contributor(s):: Peter Bermel
Outline:Recap from MondayExamplesMultimode ring resonatorsIsolating individual resonancesKerr nonlinearitiesQuantifying third-harmonic generation
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ECE 595E Lecture 35: MEEP Tutorial I
18 Apr 2013 | | Contributor(s):: Peter Bermel
Outline:MEEP InterfacesMEEP ClassesTutorial examples:WaveguideBent waveguide
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ECE 595E Lecture 34: Applications of Finite-Difference Time-Domain Simulations
18 Apr 2013 | | Contributor(s):: Peter Bermel
Outline:Recap from WednesdayPeriodic and randomly textured light-trapping structuresOverviewExperimental motivationComputational setupSimulated field evolutionAbsorption spectraFront coatingsCorrelated random structures
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ECE 595E Lecture 31: Coupled Mode Theory Simulation (CMT)
12 Apr 2013 | | Contributor(s):: Peter Bermel
Outline:Recap from WednesdayOverview of Coupled Mode TheoryDerivation of Coupled Mode EquationsApplications:Single WaveguidesAdd-Drop filtersWaveguide BendsChannel DropT-SplittersNonlinear Kerr Waveguides
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ECE 595E Lecture 32: Simulations of Coupled Mode Theory Simulation (CMT)
12 Apr 2013 | | Contributor(s):: Peter Bermel
Outline:Recap from FridayNumerical ODE solversInitial value problemsBoundary value problemsnanoHUB Tool – CMTcomb3:RationaleGoverning ODEsUser interfaceOutput analysis