ioChem-BD Browse module - Item page

Item metadata and files

Code snippets

Actions:

View dataDownload geometry
Files in This Item:
File Retrieve
in.simple_90Download
10x10_thinned.datDownload
multistep.cifDownload
lammps_90.zipDownload
output.cmlDownload
Full metadata record
DC FieldValueLanguage
dc.contributor.authorBro-Jørgensen, William-
dc.date.accessioned2025-01-17T12:14:54Z-
dc.date.available2025-02-03T10:38:51Z-
dc.date.created2025-01-17T12:10:48.477585Z-
dc.date.issued2025-01-17T12:10:48.477585Z-
dc.identifier.urihttps://iochembd.chem.ku.dk/browse/handle/100/238-
dc.descriptionRun 90-
dc.publisherNiels Bohr Institute, University of Copenhagen-
dc.publisherDepartment of Chemistry and Nano-Science Center, University of Copenhagen-
dc.publisherDepartment of Chemistry, University of California Davis-
dc.rightsCC BY 4.0 (c) University of Copenhagen, 2025-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectMachine learning-
dc.subjectMolecular electronics-
dc.subjectMolecular dynamics-
dc.title/nep/1e-7 run_90-
dc.typedataset-
dc.date.updated2025-01-17T12:13:35Z-
cml.program.nameLAMMPSen
cml.program.version28 Mar 2023 - Developmenten
cml.formula.genericAu717en
cml.calculationtypeMolecular Dynamicsen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:pulling_gold_junctions - DOI: 10.19061/iochem-bd-9-11



Please use this identifier to cite or link to this item: https://iochembd.chem.ku.dk/browse/handle/100/238

Item files in Browse  Creative Commons License
HTML5 resume (see conditions inside)Creative Commons License