Description
This dataset contains sample simulation input files to run Monte Carlo simulations of solutions of NaCl in water and a deep eutectic solvent.
| Date made available | 12 May 2022 |
|---|---|
| Publisher | TU Delft - 4TU.ResearchData |
Datasets
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Data Repositories for the PhD Thesis "Molecular Simulations of Acid Gas Absorption into Aqueous Solvents"
Polat, H. M. (Creator), Vlugt, T. (Creator) & Moultos, O. (Creator), TU Delft - 4TU.ResearchData, 28 Mar 2024
DOI: 10.4121/ab2f1796-9f8c-4180-aa22-22562ae4827e
Dataset/Software: Dataset
Research output
- 1 Article
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New Features of the Open Source Monte Carlo Software Brick-CFCMC: Thermodynamic Integration and Hybrid Trial Moves
Polat, H. M., Salehi, H. S., Hens, R., Wasik, D. O., Rahbari, A., De Meyer, F., Houriez, C., Coquelet, C., Calero, S., Dubbeldam, D., Moultos, O. A. & Vlugt, T. J. H., 2021, In: Journal of Chemical Information and Modeling. 61, 8, p. 3752-3757Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile30 Link opens in a new tab Citations (Scopus)183 Downloads (Pure)
Cite this
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