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Computational Nanoscience, Lecture 4: Geometry Optimization and Seeing What You're Doing
Teaching Materials | 13 Feb 2008 | Contributor(s):: Jeffrey C Grossman, Elif Ertekin
In this lecture, we discuss various methods for finding the ground state structure of a given system by minimizing its energy. Derivative and non-derivative methods are discussed, as well as the importance of the starting guess and how to find or generate good initial structures. We also briefly...
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MSE 582 Lecture 9: Diffraction
Online Presentations | 11 Feb 2008 | Contributor(s):: Eric Stach
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MSE 582 Lecture 8: Electron Scattering
Online Presentations | 11 Feb 2008 | Contributor(s):: Eric Stach
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MSE 582 Lecture 5: Electron Detection
Online Presentations | 04 Feb 2008 | Contributor(s):: Eric Stach
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MSE 582 Lecture 6: Vacuum Science in EM
Online Presentations | 28 Jan 2008 | Contributor(s):: Eric Stach
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MSE 582 Lecture 1: Introduction
Online Presentations | 28 Jan 2008 | Contributor(s):: Eric Stach
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MSE 582 Lecture 4: The Instrument, Part 1
Online Presentations | 28 Jan 2008 | Contributor(s):: Eric Stach
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MSE 582 Lecture 2: Basic Properties of Electrons and Electron Sources
Online Presentations | 28 Jan 2008 | Contributor(s):: Eric Stach
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Lecture 2: total energy and force calculations
Online Presentations | 14 Jan 2008 | Contributor(s):: Alejandro Strachan
This lecture will describe the various models used to describe the interactions between atoms in a wide range of materials including metals, ceramics and soft materials as well as new recent advances like reactive force fields. The key physics of widely used force fields will be described as well...
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Lecture 1: the theory behind molecular dynamics
Online Presentations | 09 Jan 2008 | Contributor(s):: Alejandro Strachan
The first lecture will provide a brief description of classical mechanics and statistical mechanics necessary to understand the physics and approximations behind MD and how to correctly interpret and analyze its results. The power, range of applicability and limitations of MD will be discussed.
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Lecture 3: simulation details and coarse grain approaches
Online Presentations | 09 Jan 2008 | Contributor(s):: Alejandro Strachan
The last presentation will describe simulation techniques to simulate materials under isothermal and isobaric conditions. We will also describe coarse grain or mesodynamical approaches (where mesoparticles describe groups of atoms) focusing on recent advances in theory that enable...
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Introduction: molecular dynamics simulations
Online Presentations | 09 Jan 2008 | Contributor(s):: Alejandro Strachan
This short presentation will describe the idea behind MD simulations and demonstrate its use in real applications.
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NCN Nanoelectronics: Courses
Series | 28 Nov 2007
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BME 695N Lecture 19: In vivo model systems to study nanomedical approaches to cancer detection and intervention
Online Presentations | 27 Nov 2007 | Contributor(s):: Deborah W Knapp
With Deborah Knapp as guest lecturer.
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BME 695N Lecture 21: FDA and EPA Regulatory Issues
Online Presentations | 27 Nov 2007 | Contributor(s):: James Leary
Outline:Introduction and overview How does the FDA think about nanomedical systems? The 2006 Nanotechnology Task Force Some details of the Nanotechnology Task Force Report General findings of the report Some initial recommendations of the Task Force Where the FDA may need to meet EPA on nanoscale...
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BME 695N Lecture 18: Designing nanodelivery systems for in-vivo use
Online Presentations | 12 Nov 2007 | Contributor(s):: James Leary
Outline:Overview – the in-vitro to ex-vivo to in-vivo paradigm In-vitro - importance of choosing suitable cell lines Ex-vivo – adding the complexity of in-vivo background while keeping the simplicity of in-vitro In-vivo - all the complexity of ex-vivo plus the “active” components of a real...
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BME 695N Lecture 17: Assessing nanotoxicity at the single cell level
Online Presentations | 06 Nov 2007 | Contributor(s):: James Leary
Outline:Outline – the need for single cell measures of nanotoxicity There is more than one way for a cell to die... Necrosis" vs. "Apoptosis" There are other forms of "toxicity" Some other challenges in measuring toxicity of nanomaterialsNecrosis vs. Apoptosis mechanisms Necrosis is unplanned...
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BME 695N Lecture 16: Assessing drug efficacy at the single cell level
Online Presentations | 02 Nov 2007 | Contributor(s):: James Leary
Outline:Introduction and overviewNanomedical treatment at the single cell level requires evaluation at the single cell levelFor evaluation purposes, does structure reveal function?The difficulty of anything but simple functional assaysThe need for assays which at least show correlation to...
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BME 695N Lecture 15: Nanodelivery of therapeutic genes & molecular biosensor feedback control systems
Online Presentations | 30 Oct 2007 | Contributor(s):: James Leary
Outline:Introduction and overviewSome of the advantages of therapeutic genesSome of the advantages of molecular biosensor feedback control systemsWhy a nanodelivery approach is appropriateThe therapeutic gene approachWhat constitutes a "therapeutic gene" ?Transient versus stable expression...
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BME 695N Lecture 12: Introduction to X-ray Photoelectron Spectroscopy and the Examples of Biologically-Relevant Applications
Online Presentations | 19 Oct 2007 | Contributor(s):: Dmitry Zemlyanov
With Dmitry Zemlyanov as guest lecturer.