Projects funded by the NCN
Electronic transport properties of molecular junctions: A novel approach to include temperature effects
2016/23/N/ST3/00008
Keywords:
molecular junction electronic transport temperature effects DFT ab-initio molecular dynamics data mining
Descriptors:
- ST3_14: Fluid dynamics (physics)
- ST3_5: Physical properties of semiconductors and insulators
Panel:
ST3 - Condensed matter physics: structure, electronic properties, fluids, nanosciences, biological physics
Host institution :
Uniwersytet Wrocławski, Wydział Fizyki i Astronomii
woj. dolnośląskie
Principal investigator (from the host institution):
Number of co-investigators in the project: 3
Call: PRELUDIUM 12 - announced on 2016-09-15
Amount awarded: 50 400 PLN
Project start date (Y-m-d): 2017-09-28
Project end date (Y-m-d): 2020-09-27
Project duration:: 36 months (the same as in the proposal)
Project status: Project settled
Project description
Download the project description in a pdf file
Note - project descriptions were prepared by the authors of the applications themselves and placed in the system in an unchanged form.
Information in the final report
- Publication in academic press/journals (1)
- Combining Multiscale MD Simulations and Machine Learning Methods to Study Electronic Transport in Molecular Junctions at Finite TemperaturesAuthors:Topolnicki, Rafał; Kucharczyk, Robert; Kamiński, WojciechAcademic press:Journal of Physical Chemistry C (rok: 2021, ), Wydawca: American Chemical SocietyStatus:Accepted for publicationDOI:10.1021/acs.jpcc.1c03210 - link to the publication