Local-density-dependent potentials for conjugated organic molecules

Processed (=secondary) data for figures contained in both manuscripts.

Data and Resources

Additional Info

Field Value
Publication(s)
Publication 1
Title of related publication
Accurate Coarse-Graining of Conjugated Organic Molecules in Melts and Thin Films Using Density-Dependent Potentials
Year of related publication
2026
DOI of related publication (not DOI of data resources)
10.1021/acs.jctc.6c00079
Publication 2
Title of related publication
Coarse-graining of small molecules in inhomogeneous systems through local-density dependent potentials
Year of related publication
2026
DOI of related publication (not DOI of data resources)
10.1063/5.0325129
Funding DFG Project No. 233630050-TRR146
Subproject Project B2: Many-body effects and optimized mapping schemes for systematic coarse-graining
Cooperation partner(s)
  • Johannes Gutenberg University Mainz
  • Max Planck Institute for Polymer Research
  • Other
Responsible Person's Name (PI) Dr. Arash Nikoubashman
Responsible Person's Email for further data requests anikouba@uni-mainz.de
Responsible Person's Affiliation Other