Publication: Dutta et al (2026) - Accurate coarse-graining of conjugated organic molecules in melts and thin films using density-dependent potentials

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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
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) Prof. Dr. Arash Nikoubashman
Responsible Person's Email for further data requests anikouba@ipff.de
Responsible Person's Affiliation Leibniz Institute for Polymer Research Dresden, Germany