
Lecture 2: The Wigner Monte Carlo Method for SingleBody Quantum Systems
18 Nov 2014  Online Presentations  Contributor(s): Jean Michel D Sellier
In this lecture, Dr. Sellier discusses the Wigner Monte Carlo method applied to singlebody quantum systems.
http://nanohub.org/resources/21699

Lecture 3: The Wigner Monte Carlo Method for Density Functional Theory
18 Nov 2014  Online Presentations  Contributor(s): Jean Michel D Sellier
In this lecture, Dr. Sellier discusses the Wigner Monte Carlo method in the framework of density functional theory (DFT).
http://nanohub.org/resources/21700

Lecture 4: The abinitio Wigner Monte Carlo Method
18 Nov 2014  Online Presentations  Contributor(s): Jean Michel D Sellier
In this lecture, Dr. Sellier discusses the abinitio Wigner Monte Carlo method for the simulation of strongly correlated systems.
http://nanohub.org/resources/21701

Lecture 5: Systems of Identical Fermions in the Wigner Formulation of Quantum Mechanics
18 Nov 2014  Online Presentations  Contributor(s): Jean Michel D Sellier
In this lecture, Dr. Sellier discusses about systems of indistinguishable Fermions in the Wigner formulation of quantum mechanics.
http://nanohub.org/resources/21702

Christopher Browne
http://nanohub.org/members/95196

sachin kumar T P
http://nanohub.org/members/79347

Christopher J O'Brien
http://nanohub.org/members/68452

Quantumchemical Theory of Cumulenes  perspective molecular conductors for nanoelectronics
07 Mar 2012  Papers  Contributor(s): Yuri A Kruglyak
The theory of pielectronic structure is presented for molecules of organic cumulenes CnH4 which have two perpendicular subsystems of piAO. Elementary considerations from MO theory
show...
http://nanohub.org/resources/13408

Allan Maple Oliveira
http://nanohub.org/members/57468

William Ernesto Abarca
Physics student at University of El Salvador, member of Prof. Dr. Carlos Rudamas Research Group focused in Optical Spectroscopy Applications. Working on theoretical calculations of molecules
http://nanohub.org/members/56040

Retinal Isomerization
PDF document: retinal.pdf
Isomerization reactions are very important in vision, as well as in many other chemical processes. When light is adsorbed, the double bond at carbon 11 in retinal...
http://nanohub.org/wiki/RetinalIsomerization

Quantum Chemistry for Engineers: Nanohub Nanoscience Projects
Electronic structure calculations play a major role in science and engineering, providing valuable information about molecular structure, thermodynamic and spectroscopic properties, and for...
http://nanohub.org/wiki/QuantumChemistryforEngineers

Optical and thermodynamic properties of gold metal nanoparticles. Effect of chemical functionalization.
PDF document: AuNanoParticles.pdf
Objective
This laboratory is intended to introduce the student to the use of semiempirical electronic structure methods. In particular, the semiempirical...
http://nanohub.org/wiki/OpticalandthermodynamicpropertiesofgoldmetalnanoparticlesEffectofchemicalfunctionalization

Carbon Nanotube Fracture
PDF document: nanotubes.pdf
Due to their mechanical properties, carbon nanotubes (CNTs) hold promise as nanoreinforcements in a variety of composites. As a result, numerous theoretical and...
http://nanohub.org/wiki/CarbonNanotubeFracture

Francesco Evangelista
http://nanohub.org/members/54944

Yuri A Kruglyak
Sep. 1998  UpnowOdessa State Environmental UniversityProfessor, Department of Information TechnologyOdessa, UkraineSep, 1989  Aug, 1998 (Retired)I.I.Mechnikov Odessa National...
http://nanohub.org/members/54080

Francisco Murphy
Studying biochemistry and molecular biology Want to do a master
http://nanohub.org/members/45284

NCN at Northwestern Tools
NCN@Northwestern Tool Support
We have identified a list of tools for which we commit the following level of service:
monitor support tickets, questions, and wishlists and provide a...
http://nanohub.org/wiki/NCNatNWTools

Valence Shell Electron Pair Repulsion simulator
06 Dec 2009  Tools  Contributor(s): Baudilio Tejerina
This tool calculates the optimal distribution of particles subject to a Coulombic potential on the surface of a sphere.
http://nanohub.org/resources/vsepr

ABINIT: FirstTime User Guide
09 Jun 2009  Teaching Materials  Contributor(s): Benjamin P Haley
This firsttime user guide provides an introduction to using ABINIT on nanoHUB. We include a very brief summary of Density Functional Theory along with a tour of the Rappture interface. We...
http://nanohub.org/resources/6874