Nano*High: Got Plastic? What Saran Wrap & Renewable Energy Generation Have in Common
Online Presentations | 31 Jan 2011 | 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*High The Molecular Foundry Lawrence Berkeley National Laboratory Nano*High gratefully acknowledges QB3, the California Institute for Quantitative Biosciences for...
MCW07 Electronic Level Alignment at Metal-Molecule Contacts with a GW Approach
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Online Presentations | 05 Sep 2007 | 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,...
The Basics of Quantum Monte Carlo
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Online Presentations | 15 Jun 2007 | 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...