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Computing the Work of Solid–Liquid Adhesion in Systems with Damped Coulomb Interactions via Molecular Dynamics: Approaches and Insights
[Image: see text] Recently, the dry-surface method [Langmuir2016, 31, 8335−8345] has been developed to compute the work of adhesion of solid–liquid and other interfaces using molecular dynamics via thermodynamic integration. Unfortunately, when long-range Coulombic interactions are present in the in...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9393893/ https://www.ncbi.nlm.nih.gov/pubmed/35929812 http://dx.doi.org/10.1021/acs.jpca.2c03934 |