nanoHUB will be intermittently unavailable due to scheduled host maintenance on Sunday, January 21st, 2018 from 7:00 am ET through 5:00 pm ET. All tool sessions will be expired when maintenance begins. We apologize for any inconvenience.
Find information on common issues.
Ask questions and find answers from other users.
Suggest a new site feature or improvement.
Check on status of your tickets.
In 1959, physicist Richard Feynman presented an
amazing talk entitled There's Plenty of Room at the Bottom, in which he proposed making very small circuits out of molecules. More than forty years later, people are starting to realize his vision. Thanks to Scanning Tunneling Microscope (STM) probes and "self-assembly" fabrication techniques, it is now possible to connect electrodes to a molecule and measure its conductance. In 2004, Mark Hersam et al. reported the first experimental measurement of a molecular resonant tunneling device on silicon. This new field of Molecular
Electronics may someday provide the means to miniaturize circuits beyond the limits of silicon, keeping Moore's Law in force for many years to come.
Learn more about molecular electronics from the resources on this site, listed below. More information on Molecular electronics can be found here.
Coordinate file of xylyl molecule
08 Feb 2013 | Teaching Materials | Contributor(s): Rahul Jain, vinay krishna polnati (editor), Venkat Rayudu
we are designing molecular device using xylyl molecule.so here we would like to upload the coordinate file of this molecule so that it can be simulated.
Chemically Enhanced Carbon-Based Nanomaterials and Devices
09 Nov 2010 | Online Presentations | Contributor(s): Mark Hersam
Carbon-based nanomaterials have attracted significant attention due to their potential to enable and/or improve applications such as transistors, transparent conductors, solar cells, batteries,...
ABINIT: First-Time User Guide
09 Jun 2009 | Teaching Materials | Contributor(s): Benjamin P Haley
This first-time 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...
MCW07 Exploring Trends in Conductance for Well-Defined Single Molecule Circuits
0.0 out of 5 stars
04 Apr 2009 | Online Presentations | Contributor(s): Mark S Hybertsen
In our recent research, we have been able to measure and characterize the impact of intrinsic molecular properties on the conductance of single molecule circuits formed with amine-gold linkages....
Northwestern University Initiative for Teaching Nanoscience
20 Aug 2008 | Tools | Contributor(s): Baudilio Tejerina
This package allows users to study and analyze of molecular properties using various electronic structure methods.
Theoretical Electron Density Visualizer
07 Jul 2008 | Tools | Contributor(s): Baudilio Tejerina
TEDVis calculates and displays 3D maps of molecular ED and its derivatives from the wave function.
UV/Vis Spectra simulator
15 Apr 2008 | Tools | Contributor(s): Baudilio Tejerina
This tool computes molecular electronic spectra.
29 Feb 2008 | Tools | Contributor(s): Baudilio Tejerina, Jeff Reimers
Semi-empirical Molecular Orbital calculations.
MCW07 A Quantum Open Systems Approach to Molecular-Scale Devices
25 Feb 2008 | Online Presentations | Contributor(s): Yongqiang Xue
Experimental advances in electrically and optically probing individual molecules have provided new insights into the behavior of single quantum objects and their interaction with the...
MCW07 Physics of Contact Induced Current Asymmetry in Transport Through Molecules
25 Feb 2008 | Online Presentations | Contributor(s): Bhaskaran Muralidharan, Owen D. Miller, Neeti Kapur, Avik Ghosh, Supriyo Datta
We first outline the qualitatively different physics involved in the charging-induced current asymmetries in molecular conductors operating in the strongly coupled (weakly interacting)...
Exploring Physical and Chemical control of molecular conductance: A computational study
01 Feb 2008 | Online Presentations | Contributor(s): Barry D. Dunietz
An Experimentalists’ Perspective
19 Dec 2007 | Online Presentations | Contributor(s): Arunava Majumdar
This presentation was one of 13 presentations in the one-day forum,
"Excellence in Computer Simulation," which brought together a broad
set of experts to reflect on the future of...
MCW07 Modeling Molecule-Assisted Transport in Nanotransistors
06 Nov 2007 | Online Presentations | Contributor(s): Kamil Walczak
Molecular electronics faces many problems in practical device implementation, due to difficulties with fabrication and gate-ability. In these devices, molecules act as the main conducting channel....
MCW07 Impact of Porphyrin Functional Groups on InAs Gas Sensors
05 Nov 2007 | Online Presentations | Contributor(s): Michael Garcia
Porphyrin molecules are often used for sensor engineering to improve sensitivity and selectivity to specific analytes. It is important to understand how the porphyrin HOMO-LUMO levels deplete...
Computing the Horribleness of Soft Condensed Matter
5.0 out of 5 stars
19 Oct 2007 | Online Presentations | Contributor(s): Eric Jakobsson
A great triumph of computer simulations 40 years ago was to make the liquid state of matter understandable in terms of physical
interactions between individual molecules. Prior to the first...
Energy-level Alignment of Aryl Thiols Chemisorbed on Metal Surfaces: Implications for Molecular Electronic Junctions
27 Sep 2007 | Online Presentations | Contributor(s): Roger D. van Zee
Charge-transport through the interface is a key part of the behavior of any electronic junction. One interface property important to molecular-electronic junctions is the energetic mismatch...
MCW07 Simple Models for Molecular Transport Junctions
13 Sep 2007 | Online Presentations | Contributor(s): Misha Galperin, Abraham Nitzan, Mark A. Ratner
We review our recent research on role of interactions in molecular transport junctions. We consider simple models within nonequilibrium Green function approach (NEGF) in steady-state regime.
MCW07 Conductance Switching in Fluorene/TiO2 Molecular Heterojunctions
13 Sep 2007 | Online Presentations | Contributor(s): Richard L. McCreery
Molecular junctions consisting of a monolayer of fluorene and 10 nm of TiO2 between conducting contacts exhibit a memory effect upon positive polarization of the of the TiO2 for a few...
MCW07 Molecular Electronics and the Bottom-up View of Electronic Conduction
12 Sep 2007 | Online Presentations | Contributor(s): Supriyo Datta
Molecular electronics is commonly associated with the bottom-up approach to nanofabrication. My objective in this talk is to point out how it also leads to a bottom-up view of electronic...
MCW07 Silicon Based Nanopore Sensors for Detection of DNA Molecules
11 Sep 2007 | Online Presentations | Contributor(s): Samir Iqbal, Demir Akin, Rashid Bashir
Solid-state nanopores have emerged as possible candidates for next-generation DNA sequencing devices. In this talk, we will review our recent work in development of solid-state nanopore channels...