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Excellence in Computer Simulation
0.0 out of 5 stars
19 Dec 2007 | Workshops | Contributor(s): Mark Lundstrom, Jeffrey B. Neaton, Jeffrey C Grossman
Computational science is frequently labeled as a third branch of science - equal in standing with theory and experiment, and computational engineering is now an essential component of technology development and manufacturing. The successes of computational science and engineering (CSE) over the...
Organic Photovoltaics: Experiment and Theory
5.0 out of 5 stars
31 Jan 2011 | Workshops | Contributor(s): Biwu Ma, Eric Isaacs, Jeffrey B. Neaton
This workshop at the 2010 Users' Meeting of the Molecular Foundry and the National Center for Electron Microscopy, both DOE-funded Research Centers at Lawrence Berkeley National Laboratory, explored the challenges, opportunities, and recent progress in organic photovoltaics. Dr. Jeffrey B. Neaton...
The basics of quantum Monte Carlo
4.5 out of 5 stars
15 Jun 2007 | Online Presentations | Contributor(s): Lucas Wagner, Jeffrey C Grossman, Jeffrey B. Neaton
Quantum Monte Carlo is a highly accurate method to approximately solve the Schrodinger equation. I explain quantum Monte Carlo in a way that should be accessible to someone who is somewhat familiar with quantum mechanics. The discussion is mostly conceptual.Lucas Wagner is a postdoctoral...
Computational Nanoscience, Lecture 26: Life Beyond DFT -- Computational Methods for Electron Correlations, Excitations, and Tunneling Transport
16 May 2008 | Teaching Materials | Contributor(s): Jeffrey B. Neaton
In this lecture, we provide a brief introduction to "beyond DFT" methods for studying excited state properties, optical properties, and transport properties. We discuss how the GW approximation to the self-energy corrects the quasiparticle excitations energies predicted by Kohn-Sham DFT. For...
The Helios Talks
25 Sep 2007 | Series | Contributor(s): Joe Ringgenberg, Jeffrey B. Neaton, Jeffrey C Grossman
The energy problem is one of the most important issues that science and technology has to solve.The Lawrence Berkeley National Laboratory’s Helios Project concentrates on renewable fuels, such as biofuels, and solar technologies, including a new generation of solar photovoltaic cells and the...
Nano*High: Nanoscience for High School Students
02 Feb 2010 | Series | Contributor(s): Alexander S McLeod, Jeffrey B. Neaton, Jeffrey C Grossman
The Materials Sciences Division at the University of California's Lawrence Berkeley National Laboratory invites you and your students to Nano*High, a series of free Saturday morning lectures by UC Berkeley professors and LBNL senior scientists conducting research from nanoscience to molecular...
MCW07 Electronic Level Alignment at Metal-Molecule Contacts with a GW Approach
05 Sep 2007 | Online Presentations | Contributor(s): Jeffrey B. Neaton
Most recent theoretical studies of electron transport in single-molecule junctions rely on a Landauer approach, simplified to treat electron-electron interactions at a mean-field level within density functional theory (DFT). While this framework has proven relatively accurate for certain systems,...
Nano-Plasmonic Bowtie Antenna Simulator
18 Mar 2008 | Tools | Contributor(s): Alexander S McLeod, Jeffrey B. Neaton, P. James Schuck, Eugene Song, Graham Chapman
A tool for simulating the near-field enhancement effects of nano-scale bowtie antennae.
05 Mar 2008 | Tools | Contributor(s): Lucas Wagner, Jeffrey C Grossman, Joe Ringgenberg, daniel richards, Alexander S McLeod, Eric Isaacs, Jeffrey B. Neaton
Use SIESTA to perform electronic structure calculations
27 Sep 2009 | Tools | Contributor(s): Alexander S McLeod, Peter Doak, Sahar Sharifzadeh, Jeffrey B. Neaton
This is an educational tool that illustrates the calculation of the electronic structure of materials using many-body perturbation theory within the GW approximation
Molecular Foundry Photonics Toolkit
13 May 2010 | Tools | Contributor(s): Alexander S McLeod, P. James Schuck, Jeffrey B. Neaton
Simulate realistic 1, 2, or 3-dimension nano-optical systems using the FDTD method.
15 Jun 2007 | Tools | Contributor(s): Joe Ringgenberg, Joydeep Bhattacharjee, Jeffrey B. Neaton, Jeffrey C Grossman, Eric Schwegler
Explore the influence of strain on first-principles bandstructures of semiconductors.
CNT Heterojunction Modeler
20 Mar 2008 | Tools | Contributor(s): Joe Ringgenberg, Joydeep Bhattacharjee, Jeffrey B. Neaton, Jeffrey C Grossman
Study the structure and electronic properties of carbon nanotubes with linear heterojunctions.
QWalk Quantum Monte Carlo Tutorial
15 Jun 2007 | Tools | Contributor(s): Lucas Wagner, Jeffrey C Grossman, Jeffrey B. Neaton, Ian Michael Rousseau
An accurate method to calculate the many body ground state of electrons
25 Sep 2007 | Tools | Contributor(s): Joe Ringgenberg, P. Alex Greaney, daniel richards, Jeffrey C Grossman, Jeffrey B. Neaton, Justin Riley
Study the transfer of energy between the vibrational modes of a carbon nanotube.
Nano*High: Got Plastic? What Saran Wrap & Renewable Energy Generation Have in Common
21 Jan 2011 | Online Presentations | Contributor(s): Rachel Segalman, Eric Isaacs, Jeffrey B. Neaton
Rachel Segalman is an Associate Professor of Chemical and Biomolecular Engineering at UC Berkeley and a Faculty Scientist at LBNL.Nano*HighThe Molecular FoundryLawrence Berkeley National LaboratoryNano*High gratefully acknowledges QB3, the California Institute for Quantitative Biosciences for...
nanoHUB PhotoVoltaics Reference Zone
19 Jan 2010 | Teaching Materials | Contributor(s): Alexander S McLeod, Jeffrey B. Neaton, Jeffrey C Grossman
Need information on the science of photovoltaics and solar cell technology? Find it here!The nanoHUB PhotoVoltaics Reference Zone is the right destination for finding general information about photovoltaic solar cell science and technology, as well as for viewing news articles and getting access...