READ ME File For 'Boschetto_Organic_Photovoltaics_thesis_data'

Dataset DOI: 10.5258/SOTON/D1072

ReadMe Author: Gabriele Boschetto, University of Southampton

This dataset supports the thesis entitled 'Large-Scale Quantum Chemistry Simulations of Organic Photovoltaics'
AWARDED BY: University of Southampton
DATE OF AWARD: 2019

DESCRIPTION OF THE DATA

This dataset contains:
Input and output files of the computer simulations performed with ONETEP throughout the PhD. The files can be opened by simply using a text editor.
Each directory corresponds to a chapter in the thesis.

Date of data collection: 2015-2019

Information about geographic location of data collection: University of Southampton, U.K.

Licence: CC BY

Funders:
EPSRC
Merck


Date that the file was created: September, 2019