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Illinois: Professor William H. Pirkle
24 Apr 2012 | | Contributor(s):: William H. Pirkle
William H. PirkleEMERITUS PROFESSOR OF CHEMISTRYProfessor William H. Pirkle received his B.S. from the University of California, Berkeley, in 1958 and his Ph.D. from the University of Rochester in 1963. He joined the faculty at Illinois in 1964. His research interests are in organic chemistry....
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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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Interactive Modeling of Materials with Density Functional Theory Using the Quantum ESPRESSO Interface within the MIT Atomic Scale Modeling Toolkit
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.
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Introduction to and Advances in Self-Healing Polymers
14 Jun 2007 | | Contributor(s):: Gerald O. Wilson
The presenter briefly introduces the topic of Self-Healing Polymer research and continues to give a Survey of Ruthenium Metathesis Catalysts for Ring Opening Metathesis Polymerization-Based Self-Healing ApplicationsGerald O. Wilson is a Ph.D. Candidate in the Department of Materials Science...
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Introduction to Computational Chemistry Using the NUITNS Simulation Toolkit in nanoHUB
05 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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Ionic Selectivity in Channels: complex biology created by the balance of simple physics
05 Jun 2008 | | Contributor(s):: Bob Eisenberg
An important class of biological molecules—proteins called ionic channels—conduct ions (like Na+ , K+ , Ca2+ , and Cl− ) through a narrow tunnel of fixed charge (‘doping’). Ionic channels control the movement of electric charge and current across biological membranes...
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IWCN 2021: Density Functional Theory Modeling of Chemical Reactions at Interfaces
15 Jul 2021 | | Contributor(s):: Namita Narendra, Jessica Wang, James Charles, Tillmann Christoph Kubis
In this work, we introduce a DFT-based method to predict energies of solute molecules in bulk solution and in various distances to solvent/air interfaces. The solute and all solvent molecules (~1400 atoms) are explicitly considered, and their electrons solved self-consistently in density...
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Lab on a Slab: Microfluidics Activity
13 Jan 2020 | | Contributor(s):: John Gomm, NNCI Nano
Microfluidics is a technique for manipulating liquid samples. With one drop of liquid sample, small devices and channels can be used with nanoparticles for sensitive detection of chemicals. In this lab, students will create a fluidic device with agar gel and use it to test and diagnose three...
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Learning Module: Interpreting Chemical Labels
27 Mar 2017 | | Contributor(s):: Southwest Center for Microsystems Education (SCME)
The fabrication of micro and nano devices requires the use of several types of chemicals, both inert and hazardous. OSHA requires specific information about a chemical to be on its label. This learning module provides information needed to interpret chemical labels and symbols used. ...
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Learning Module: Interpreting Chemical Labels - Instructor Guide
27 Mar 2017 | | Contributor(s):: Southwest Center for Microsystems Education (SCME)
The fabrication of micro and nano devices requires the use of several types of chemicals, both inert and hazardous. OSHA requires specific information about a chemical to be on its label. This learning module provides information needed to interpret chemical labels and symbols used. ...
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Lecture 2: The Wigner Monte Carlo Method for Single-Body Quantum Systems
18 Nov 2014 | | Contributor(s):: Jean Michel D Sellier
In this lecture, Dr. Sellier discusses the Wigner Monte Carlo method applied to single-body quantum systems.
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Lecture 3: The Wigner Monte Carlo Method for Density Functional Theory
18 Nov 2014 | | Contributor(s):: Jean Michel D Sellier
In this lecture, Dr. Sellier discusses the Wigner Monte Carlo method in the framework of density functional theory (DFT).
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Lecture 4: The ab-initio Wigner Monte Carlo Method
18 Nov 2014 | | Contributor(s):: Jean Michel D Sellier
In this lecture, Dr. Sellier discusses the ab-initio Wigner Monte Carlo method for the simulation of strongly correlated systems.
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Lecture 5: Systems of Identical Fermions in the Wigner Formulation of Quantum Mechanics
18 Nov 2014 | | Contributor(s):: Jean Michel D Sellier
In this lecture, Dr. Sellier discusses about systems of indistinguishable Fermions in the Wigner formulation of quantum mechanics.
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Linear Diffusion and Cell Signaling
17 Apr 2020 | | Contributor(s):: NNCI Nano
In this activity, students explore the concept of diffusion as a component of cell communication. Specifically, students will explore how the rate of diffusion varies with distance and concentration gradient. They will use a pipet with water and dye to observe a macro-model of diffusion....
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Machine Learning for Chemical Sensing
29 Apr 2020 | | Contributor(s):: Bruno Ribeiro
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Make a Microfluidic Device to Investigate Properties of Solutions
07 Apr 2020 | | Contributor(s):: Greg Hair, NNCI Nano
This lesson focuses on having students design and test a microfluidic device to investigate the properties of solutions. The lesson activities combine concepts learned in the previous semester (energy, frequency, wavelength, and bonding) together with the aforementioned concepts of solutions to...
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Making a Liquid Crystal Thermometer
09 Jan 2017 | | Contributor(s):: Rano Sidhu, NNCI Nano
Liquid crystals are matter that has properties between those of a liquid and a solid. Liquid crystals may flow like a liquid but have crystals like a solid.colors of the objects are Color is the outcome of various light properties: absorption, refraction, or reflection. In the case of liquid...
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Manufacturing Fit-for-Purpose Membranes from Nanostructured Polymers
11 Dec 2019 | | Contributor(s):: William Phillip
This presentation will discuss how to produce block polymers membranes that contain a high density of well-defined nanoscale pores using facile and scalable techniques. Furthermore, we will describe how the performance profile of the membranes can be tailored to effect selective separations...
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Mathematics of Ions in Channels and Solutions: Stochastic Derivations, Direct, Variational and Inverse Solutions that fit Data
05 Feb 2014 | | Contributor(s):: Bob Eisenberg
Literally thousands of biologists study the properties of channels in experiments every day. My collaborators and I have shown how the relevant equations can be derived (almost) from stochastic differential equations, and how they can be solved in inverse, variational, and direct problems using...