User Projects
About
The Molecular Foundry is a Department of Energy user facility which enables scientists from a wide range of fields to engage in multidisciplinary nanoscience. Within the Foundry, staff scientists in the Theory Facility collaborate with selected users on specific proposals.
Areas of Expertise
- Electronic structure: Jeff Neaton and David Prendergast.
- Theory and simulation of X-ray absorption spectra: David Prendergast.
- Soft matter: Steve Whitelam.
For more information on active research areas within the Theory Facility please visit our research page.
Information on Becoming a User
Check the Molecular Foundry website for more information on access to the Foundry, including information for foreign visitors, or for information about submitting a proposal.
Active User Projects
Electronic Structure of Nanostructured Transition Metal Oxides for Energy Applications- Project lead: Craig Fennie
- Assigned scientist: Jeff Neaton
- Project lead: Feng Liu
- Assigned scientist: Jeff Neaton
- Project lead: Chee Gan
- Assigned scientist: Jeff Neaton
- Project lead: Eric Heller
- Assigned scientist: Jeff Neaton
- Project lead: Amitesh Maiti
- Assigned scientist: Jeff Neaton
- Project lead: Stefan Bon
- Assigned scientist: Steve Whitelam
- Project lead: Sayeef Salahuddin
- Assigned scientist: Jeff Neaton
- Project lead: Berend Smit
- Assigned scientist: Steve Whitelam
- Project lead: Latha Venkataraman
- Assigned scientist: Jeff Neaton
- Project lead: Paolo Umari
- Assigned scientist: David Prendergast
- Project lead: Xiulin Ruan
- Assigned scientist: Jeff Neaton
- Project lead: Steve Whitelam
- Assigned scientist: Steve Whitelam
- Project lead: Juan Garrahan
- Assigned scientist: Steve Whitelam
- Project lead: Georg Held
- Assigned scientist: David Prendergast
- Project lead: Gennadi Bersuker
- Assigned scientist: David Prendergast
- Project lead: Berend Smit
- Assigned scientist: Jeff Neaton
- Project lead: Phillip Geissler
- Assigned scientist: Jeff Neaton
- Project lead: Lutgard C. De Jonghe
- Assigned scientist: Jeff Neaton
- Project lead: Valentino Cooper
- Assigned scientist: Jeff Neaton
- Project lead: Tadashi Ogitsu
- Assigned scientist: David Prendergast
- Project lead: Jeffrey Neaton
- Assigned scientist: Jeff Neaton
- Project lead: Stanimir Bonev
- Assigned scientist: Jeff Neaton
- Project lead: Stanimir Bonev
- Assigned scientist: David Prendergast
Completed User Projects (2011)
Quasiparticle Level Alignment at Covalently-Bonded Metal-Organic Interfaces- Project lead: Stanimir Bonev
- Assigned scientist: Jeff Neaton
- Project lead: Robert Jack
- Assigned scientist: Steve Whitelam
- Project lead: Leeor Kronik
- Assigned scientist: Jeff Neaton
- Project lead: James Chelikowsky
- Assigned scientist: Jeff Neaton
- Project lead: John Rehr
- Assigned scientist: David Prendergast
- Project lead: Jeffrey Neaton
- Assigned scientist: Jeff Neaton
Completed User Projects (2010)
Electron and spin transport in graphene nanoribbons and nanoconstrictions- Project lead: Young-Woo Son
- Assigned scientist: Jeff Neaton
- Project lead: Joel Moore
- Assigned scientist: Jeff Neaton
- Project lead: Nicola Spaldin
- Assigned scientist: Jeff Neaton
- Project lead: Giancarlo Cicero
- Assigned scientist: David Prendergast
- Project lead: Alberto Morgante
- Assigned scientist: Jeff Neaton
- Project lead: Tadashi Ogitsu
- Assigned scientist: David Prendergast
- Project lead: Jeffrey Neaton
- Assigned scientist: Jeff Neaton
- Project lead: Jinghua Guo
- Assigned scientist: David Prendergast
- Project lead: Vivek Subramanian
- Assigned scientist: Jeff Neaton
- Project lead: Richard Saykally
- Assigned scientist: David Prendergast
- Project lead: Jeffrey Grossman
- Assigned scientist: David Prendergast
- Project lead: Lutgard C. De Jonghe
- Assigned scientist: Jeff Neaton
- Project lead: Ken Dill
- Assigned scientist: Steve Whitelam
Completed User Projects (2009)
Validation of quantum transport methodology in nanoscale and molecular devices- Project lead: Jerry Bernholc
- Assigned scientist: Jeff Neaton
- Project lead: James Hone
- Assigned scientist: Jeff Neaton
- Project lead: Latha Venkataraman
- Assigned scientist: Jeff Neaton
Completed User Projects (2008)
The effects of pressure on the vibrational properties of carbon nanotubes from Raman- Project lead: Peter Y. Yu
- Assigned scientist: Jeff Neaton
- Project lead: Sandro Scandolo
- Assigned scientist: Jeff Neaton
- Project lead: Feng Liu
- Assigned scientist: Jeff Neaton
- Project lead: Richard Saykally
- Assigned scientist: David Prendergast
Completed User Projects (2007)
First-principles methods for spin-polarized transport in magnetic nanojunctions- Project lead: James Chelikowsky
- Project lead: Karin Rabe
- Project lead: Mark S. Hybertsen
Completed User Projects (2006)
Theory of Quantum Transport in Nanoscale and Molecular Devices- Project lead: Jerry Bernholc
- Project lead: Roberto Car
- Project lead: Mark Hybertsen
- Project lead: Efthimios Kaxiras