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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...
MCW07 Electronic Level Alignment at Metal-Molecule Contacts with a GW Approach
0.0 out of 5 stars
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*High: Got Plastic? What Saran Wrap & Renewable Energy Generation Have in Common
5.0 out of 5 stars
31 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...