[Illinois] Silver and Gold Nanoparticles: New Directions for Theory
12 Nov 2015 | Online Presentations | Contributor(s): George C. Schatz
George C. Schatz is Charles E. and Emma H. Morrison Professor of Chemistry and of Chemical and Biological Engineering at Northwestern University. Degrees include a B. S. (1971) at Clarkson University and Ph. D. (1976) at Caltech, both in chemistry. He was a postdoc at MIT, and has been at Northwestern since 1976. Schatz has published three books and over 680 papers. Schatz is a member of the National Academy of Sciences, the American Academy of Arts and Sciences, the International Academy of Quantum Molecular Sciences and he is Editor-in-Chief of the Journal of Physical Chemistry. Awards include Sloan and Dreyfus Fellowships, the Fresenius Award of Phi Lambda Upsilon, the Max Planck Research Award, the Bourke Medal of the Royal Society of Chemistry, the Ver Steeg Fellowship of Northwestern University, the Feynman Prize of the Foresight Institute, and the Debye Award of the ACS. He is a Fellow of the American Physical Society, the American Chemical Society and the AAAS.
Schatz’s research is concerned with theory and computational modeling in a variety of nanoscience topics as well as in related fields of biophysics and materials. His nanoscience work has specialized in the optical properties of noble metal nanoparticles, nanoholes in films and other nanostructured materials of relevance to chemical and biological sensing, solar energy, plasmonic device applications, and plasmon-induced chemistry. He has worked actively in the theory and modeling of the mechanical properties of hard materials, including diamond films, graphene and carbon nanotubes, and in the chemical functionalization of these materials. These studies have involved the development of molecular dynamics/electronic structure methods for modeling chemical reactions surfaces, and electronic structure/classical electrodynamics methods for calculating nanostructure optical properties.
Tensile Mechanics of alpha-Helical Polypeptides
30 Aug 2013 | Tools | Contributor(s): Korosh Torabi, George C. Schatz
This model is capable of making quantitatively accurate predictions of force-extension behavior of a given helix-forming polypeptide sequence including its dependence on pH, temperature and ionic strength.
TRANSpull: computes pulling coupled to transport properties of single molecules.
27 Jul 2011 | Tools | Contributor(s): Jason Hutcheson, Ignacio Franco, Renaud Nicolas, Marcelo Carignano, Mark Ratner, George C. Schatz
Calculates the electronic transport properties of single molecules as they are mechanically elongated.
MOLpull: A tool for molecular free energy reconstruction along a pulling coordinate
24 Aug 2010 | Tools | Contributor(s): Lisa Felberg, Ignacio Franco, Martin McCullagh, Mark Ratner, George C. Schatz, Marcelo Carignano
Estimates the force required for stretching a molecule and determines the potential of mean force along the extension coordinate.
Coarse Grain Lipid Simulator
31 Jul 2008 | Tools | Contributor(s): Baudilio Tejerina, Elizabeth Brezinski, Martin McCullagh, George C. Schatz
CGLS is a tool intended to aid in the modeling, construction and analysis of lipid systems.
Optical and Thermodynamic properties of noble metal nanoparticles. Effect of chemical functionalization.
06 May 2009 | Teaching Materials | Contributor(s): Baudilio Tejerina, George C. Schatz
This laboratory is intended to introduce the student to the use of semiempirical electronic structure methods. In particular, the semiempirical methods will be applied to the study of metallic clusters and the interaction of the clusters with molecules such as pyridine. The reactivity of the metallic systems will be rationalized in terms of the electron populations in the cluster. Optical properties and the metal-ligand affinity will be quantitatively estimated.
Theoretical Analysis of Gold Nanoparticles
06 May 2009 | Teaching Materials | Contributor(s): Jon Camden, George C. Schatz, Baudilio Tejerina
All physical and chemical properties are size dependent, and the properties of materials on the nanosize scale have important consequences in wide ranging fields. Exploiting nanoscale behavior will eventually lead scientists to develop devices that can selectively attack diseased cells, increase computer speed or improve chemical and biological sensors. The composition, size, shape and environment of nanosized particles strongly influence their ultimate utility. Chemical dyes were the first ...
Nanosphere Optics Lab Field Simulator
09 Aug 2007 | Tools | Contributor(s): Baudilio Tejerina, Tyler Takeshita, Logan Ausman, George C. Schatz
Study of the Electric field induced by Light-Nanoparticle interaction.
PNP Cyclic Peptide Ion Channel Model
04 Apr 2007 | Tools | Contributor(s): Brian Radak, Hyonseok Hwang, George C. Schatz, Mark A. Ratner
This tool simulates ion flow in a system modeled after cyclic peptide ion channels using Poisson-Nernst-Planck (PNP) theory.
Nanosphere Optics Lab
19 May 2006 | Tools | Contributor(s): Jon Camden, George C. Schatz
Optical properties of nanospheres suspended in water, air, or other solutions
Quantum Chemistry Part II
08 Jul 2004 | Online Presentations | Contributor(s): George C. Schatz
This tutorial will provide an overview of electronic structure calculations from a
chemist's perspective. This will include a review of the basic electronic structure