Efficient Molecular Dynamics Simulations of Deep Eutectic Solvents with First-Principles Accuracy Using Machine Learning Interatomic Potentials
Author:
Affiliation:
1. Leibniz Institute of Surface Engineering, 04318 Leipzig, Germany
Funder
Deutsche Forschungsgemeinschaft
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c00944
Reference86 articles.
1. Novel solvent properties of choline chloride/urea mixturesElectronic supplementary information (ESI) available: spectroscopic data. See http://www.rsc.org/suppdata/cc/b2/b210714g/
2. Deep eutectic solvents: syntheses, properties and applications
3. Deep Eutectic Solvents (DESs) and Their Applications
4. Deep Eutectic Solvents: A Review of Fundamentals and Applications
5. Solubility of Metal Oxides in Deep Eutectic Solvents Based on Choline Chloride
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