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DFT on Wikipedia

This is a link to Wikipedia's page on Density Functional Theory.

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Life Beyond DFT

Computational Nanoscience, Lecture 26: Life Beyond DFT -- Computational Methods for Electron Correlations, Excitations, and Tunneling Transport

By Jeffrey B. Neaton

Lawrence Berkeley National Laboratory

This lecture provides a brief introduction to "beyond DFT" methods for studying excited state properties, optical properties, and transport properties, how the GW approximation to the self-energy corrects the quasiparticle excitations energies predicted by Kohn-Sham DFT;  the Bethe-Salpeter Equation for optical properties; and an example demonstrating the use of the Landauer formalism for exploring transport properties.

  1. DFT

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Tanya Faltens onto DFT

Ale Strachan EAFIT presentation

Published on Apr 4, 2014

En una colaboración entre la Escuela de Ingeniería de EAFIT, el Centro de Computación Científica Apolo y Proyecto 50, recibimos a Alejandro Strachan, profesor asociado de la Universidad de Purdue, quien explicó la utilidad de las simulaciones en procesos de enseñanza y aprendizaje, así como su impacto en la ingeniería.

Esta metodología explora los múltiples recursos que brinda "nanoHUB", una página web orientada a la creación de simulaciones para la investigación.

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Tanya Faltens onto Materials in Spanish

Vibration energy the secret to self-powered electronics

New nanogenerator takes advantage of a common piezoelectric polymer material called polyvinylidene fluoride, or PVDF. Automatically harvests energy from ambient vibrations.

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Eric Schweitzer onto Favorites

New nanoparticles offer best-ever gene silencing

“They hijacked that machinery and made something that looks like the lipoprotein structures and will carry siRNA straight to the liver.”

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Eric Schweitzer onto Favorites

Large thermoelectric power from a combination of magnets and superconductors

According to the newly published research, a very large thermoelectric effect can be created in a structure combining a ferromagnet (F) to a thin superconductor film (S) via an insulator (I), and where the superconductor is in the presence of a spin-splitting field due to the presence of a ferromagnetic insulator (FI) or a magnetic field (B).

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Eric Schweitzer onto Favorites

Superhumans with 30 years - thatsreallypossible.com

Experts predict that nanotechnology will give us “superhuman” abilities within the next 30 years.. awesome article!!

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Eric Schweitzer onto Favorites

How People Learn Nano

This is a content page that deals with research that shows how students (particularly undergraduate first year engineering students) learn nanoscale modeling and science.

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Eric Schweitzer onto Favorites

S4: Stanford Stratified Structure Solver

This simulation tool calculates reflection and transmission spectra for a range of materials and geometries, from single layers to thin films on a substrate to multi-layered materials and even photonic structures made of patterned layers. S4 can be used to predict the reflections of an SiO2 layer on a silicon wafer, a soap bubble, an anti-reflective coating, and more. S4 is a powerful and versatile tool.

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Data Wanted

Does anyone have some data showing absorption of glass as a function of wavelength in the UV-Vis range?

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Carbon nanotubes studied under a microscope make some interesting new discoveries.

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Learning Nanoelectronics

This group is a great resource for learning nanoelectronics. This resource includes a list of all nanoHUB-U courses in this area along with a substantial list of graduate courses in this area also. Users will also find a real good list of foundation level courses geared for undergraduates trying to learn nanoelectronics.

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Krishna Madhavan onto Learning Nano

Using nanoHUB to Introduce Middle School Students to Modeling and Simulations

Content developed by Dr. Tanya Faltens that shows how nanoHUB can be combined with hands-on model building activity to teach middle school students about nanoscale modeling and science. This content is also used as part of the NanoDays activities in which nanoHUB participates actively.

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How People Learn Nano

This is a content page that deals with research that shows how students (particularly undergraduate first year engineering students) learn nanoscale modeling and science.

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Krishna Madhavan onto Learning Nano

nanoHUB-U

nanoHUB-U is a new initiative within nanoHUB that aims “to bring the new insights and approaches being developed in nanoscience into the traditional fields of engineering and applied science, and to do this in a way that is broadly accessible to students without a long string of prerequisites” (Source: nanoHUB-U/About).

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Krishna Madhavan onto Learning Nano

nanoHUB New Education Page

The new nanoHUB Education page has been redesigned ground-up to offer end-users better content organization and also better access to learning related tools.

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Krishna Madhavan onto Learning Nano

Introduction to Nano

Content on introducing learners to nanotechnology created by NISEnet.

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Krishna Madhavan onto Learning Nano

Nanoparticles cause cancer cells to self-destruct

The researchers have used nanoparticles of iron oxide that have been treated with a special form of magnetism. Once the particles are inside the cancer cells, the cells are exposed to a magnetic field, and the nanoparticles begin to rotate in a way that causes the lysosomes to start destroying the cells.

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nanoHUB staff onto Nano News

Researchers change coercivity of material by patterning surface

Researchers from North Carolina State University have found a way to reduce the coercivity of nickel ferrite (NFO) thin films by as much as 80 percent by patterning the surface of the material. For devices that rely on switching current back and forth repeatedly – such as most consumer electronics – you want materials that have low coercivity, which improve device performance and use less energy.

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Antimony nanocrystals for batteries

Researchers from ETH Zurich and Empa have succeeded for the first time to produce uniform antimony nanocrystals. These nanomaterials operate with high rate and may eventually be used as alternative anode materials in future high-energy-density batteries.

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Nanostructured capsules could bring about paints and electronic displays that never fade

Manoharan’s lab has devised a system where microcapsules are filled with a disordered solution of even smaller particles suspended in water. When the microcapsule is partly dried out, it shrinks, bringing the particles closer and closer together. Eventually the average distance between all the particles will give rise to a specific reflected color from the capsule. Shrink the capsule a bit more, and they become another color, and then another.

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nanoHUB staff onto Nano News

'Iron Man' plants are supercharged by nanotech power

A team of biologists and engineers has made bionic plants that have been upgraded with an injection of nanotechnology.

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nanoHUB staff onto Nano News

Purdue makes “ultracold” molecules that look promising for quantum computing and simulation. Using lasers to cool atoms nearly to absolute zero and then gluing them together!

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nanoHUB staff onto Nano News

Awesome article that features nanoHUB and the many things that it offers to the nano community and beyond, by International Science Grid This Week.

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nanoHUB staff onto Nano News

Scientists build the thinnest possible LEDs (3 atoms thick, close to 10,000 times smaller than the thickness of human hair) to be stronger and more efficient.

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nanoHUB staff onto Nano News

nanoHUB.org, a resource for nanoscience and nanotechnology, is supported by the National Science Foundation and other funding agencies. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation.