
Computational Nanoscience, Lecture 20: Quantum Monte Carlo, part I
20 May 2008  Teaching Materials  Contributor(s): Elif Ertekin, Jeffrey C Grossman
This lecture provides and introduction to Quantum Monte Carlo methods. We review the concept of electron correlation and introduce Variational Monte Carlo methods as an approach to going beyond...
http://nanohub.org/resources/4564

Computational Nanoscience, Lecture 21: Quantum Monte Carlo, part II
20 May 2008  Teaching Materials  Contributor(s): Jeffrey C Grossman, Elif Ertekin
This is our second lecture in a series on Quantum Monte Carlo methods. We describe the Diffusion Monte Carlo approach here, in which the approximation to the solution is not restricted by choice...
http://nanohub.org/resources/4566

Computational Nanoscience, Lecture 4: Geometry Optimization and Seeing What You're Doing
13 Feb 2008  Teaching Materials  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 nonderivative methods are discussed, as well as the...
http://nanohub.org/resources/4035

MIT AtomicScale Modeling Toolkit
24 Jan 2008  Tools  Contributor(s): daniel richards, Elif Ertekin, Jeffrey C Grossman, David Strubbe, Justin Riley
Tools for AtomicScale Modeling
http://nanohub.org/resources/ucb_compnano

Path Integral Monte Carlo
15 Jan 2008  Tools  Contributor(s): John Shumway, Matthew Gilbert
Tool Description
http://nanohub.org/resources/pimc

Spin Coupled Quantum Dots
05 Aug 2008  Tools  Contributor(s): John Shumway, Matthew Gilbert
Path integral calculation of exchange coupling of spins in neighboring quantum dots.
http://nanohub.org/resources/spincoupleddots