Theory and Computation

Metadata Updated: March 8, 2017

Flexible computational infrastructure, software tools and theoretical consultation are provided to support modeling and understanding of the structure and properties of nanostructured materials. CFN staff members have research expertise in areas that include nanoscale structure formation and assembly processes, bonding and atomic-scale structure, electron transport, optical and electronic excitations in nanomaterials, and homogeneous and inhomogeneous catalysis. Each user project will be guided by one of the staff scientists with appropriate expertise. Engagement with staff scientists will follow the needs of the user project, ranging from support for independent computations by the user team to expert consultation or collaboration with the user team as appropriate.

Access & Use Information

Public: This dataset is intended for public access and use. License: No license information was provided. If this work was prepared by an officer or employee of the United States government as part of that person's official duties it is considered a U.S. Government Work.

Downloads & Resources

Dates

Metadata Created Date March 8, 2017
Metadata Updated Date March 8, 2017

Metadata Source

Harvested from Federal Laboratory Consortium Data.json

Additional Metadata

Resource Type Dataset
Metadata Created Date March 8, 2017
Metadata Updated Date March 8, 2017
Publisher Federal Laboratory Consortium
Unique Identifier 46D35019-A4BC-4F1E-8521-EF74F749DA57
Maintainer
Mark Hybertsen
Maintainer Email
Public Access Level public
Address1 Brookhaven National Laboratory P.O. Box 5000, Bldg. 735
Address2
Address3
Metadata Context https://project-open-data.cio.gov/v1.1/schema/catalog.jsonld
Schema Version https://project-open-data.cio.gov/v1.1/schema
Catalog Describedby https://project-open-data.cio.gov/v1.1/schema/catalog.json
Expertise Capabilities:Theory and modeling of soft materials and assemblies of heterogeneous nanostructuresMethods to determine the structure and energy of reactive intermediates and transition states along the reactive pathways in catalysisTheory of electron transfer through molecules and nanoscale junctionsEfficient methods and algorithms to compute electronic and optical excitations in nanosystemsNew methods to compute electronic structure of molecules and supramolecular assemblies
Fax
Flcbusinessurl https://flcbusiness.federallabs.org/#/laboratory/3217
Harvest Object Id 6489765c-4ced-40f2-aa78-77a4b88a4ece
Harvest Source Id 5859cfed-553c-48de-a478-b67b5225f6fc
Harvest Source Title Federal Laboratory Consortium Data.json
Mission
Owneroperatorcode
Phone (631) 344-5996
Postalcode 11973
Repphone (631) 344-5996
Sizesqft 0
Source Datajson Identifier True
Source Hash 6828086edc950293bdf8695d77de03fd7c9e661a
Source Schema Version 1.1
Statecode NY
T2Website

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