https://github.com/ricalessandri/evaporate

Generate soft matter blends via simulated solvent evaporation
https://github.com/ricalessandri/evaporate

evaporation molecular-dynamics soft-matter-blends

Last synced: 14 days ago
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Generate soft matter blends via simulated solvent evaporation

• Host: GitHub
• URL: https://github.com/ricalessandri/evaporate
• Owner: ricalessandri
• License: apache-2.0
• Created: 2018-03-31T10:28:22.000Z (almost 7 years ago)
• Default Branch: master
• Last Pushed: 2020-06-06T16:55:02.000Z (over 4 years ago)
• Last Synced: 2024-11-19T16:02:40.822Z (3 months ago)
• Topics: evaporation, molecular-dynamics, soft-matter-blends
• Language: Shell
• Size: 327 KB
• Stars: 3
• Watchers: 2
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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README

        
# evaporate

Generate soft matter blends via simulated solvent evaporation

Solvent evaporation protocol implemented as a bash script (which assumes the use of GROMACS) used to produce soft matter morphologies as described in [JACS **2017**, 139, 3697-3705](https://pubs.acs.org/doi/abs/10.1021/jacs.6b11717). All the files required to run the evaporation of [JACS **2017**, 139, 3697-3705](https://pubs.acs.org/doi/abs/10.1021/jacs.6b11717) and [JMCA **2017**, 5, 21234-21241](https://pubs.rsc.org/en/content/articlelanding/2017/ta/c7ta06609k) can be found at [the Martini portal](http://cgmartini.nl/index.php/simulated-evaporation-and-scattering).

If you find this useful please cite [JACS **2017**, 139, 3697-3705](https://pubs.acs.org/doi/abs/10.1021/jacs.6b11717).

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![alt text](./images/banner-opv-03.png "P3HT:PCBM blend")

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Some morphologies (from 

[JACS **2017**, 139, 3697-3705](https://pubs.acs.org/doi/abs/10.1021/jacs.6b11717) 

and [Chemrxiv **2020**](https://doi.org/10.26434/chemrxiv.12277931))

are available on [Figshare](https://doi.org/10.6084/m9.figshare.12338633).

## License



Copyright 2018 University of Groningen


Licensed under the Apache License, Version 2.0 (the "License");

you may not use this file except in compliance with the License.

You may obtain a copy of the License at

      http://www.apache.org/licenses/LICENSE-2.0

Unless required by applicable law or agreed to in writing, software

distributed under the License is distributed on an "AS IS" BASIS,

WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.

See the License for the specific language governing permissions and

limitations under the License.



The [full text of the license](https://github.com/ricalessandri/evaporate/blob/master/LICENSE) is available in the source repository.