Hybrid-REM coarse-graining

Files relevant for the hybrid CG-approach. This includes python-scripts and all relevant structure- and parameter-files. The upload also contains a mapping-script that allows one to map atomistic trajectories to coarse-grained trajectories (compatible with the openmm format). The mapping-files for the three systems are included. In addition, the upload contains readme-files that give a concise description over the files and worklow.

Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2024-12-30
DOI
https://doi.org/10.5281/zenodo.14579394
Primary Topic
Block Copolymer Self-Assembly
Type
article
Field-Weighted Citation Impact
0.00
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article

Hybrid-REM coarse-graining

Zenodo (CERN European Organization for Nuclear Research)
Block Copolymer Self-Assembly
article

Hybrid-REM coarse-graining

article en

Abstract

Files relevant for the hybrid CG-approach. This includes python-scripts and all relevant structure- and parameter-files. The upload also contains a mapping-script that allows one to map atomistic trajectories to coarse-grained trajectories (compatible with the openmm format). The mapping-files for the three systems are included. In addition, the upload contains readme-files that give a concise description over the files and worklow.

Zenodo (CERN European Organization for Nuclear Research)
Openalex Percentile: Top 73%
Block Copolymer Self-Assembly
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Hybrid-REM coarse-graining · Zenodo (CERN European Organization for Nuclear Research) (2024) | TGRS Research Map | TGRS