Computational Tools to Rationalize and Predict the Self-Assembly Behavior of Supramolecular Gels.
Gels
; 7(3)2021 Jul 09.
Article
em En
| MEDLINE
| ID: mdl-34287290
ABSTRACT
Supramolecular gels form a class of soft materials that has been heavily explored by the chemical community in the past 20 years. While a multitude of experimental techniques has demonstrated its usefulness when characterizing these materials, the potential value of computational techniques has received much less attention. This review aims to provide a complete overview of studies that employ computational tools to obtain a better fundamental understanding of the self-assembly behavior of supramolecular gels or to accelerate their development by means of prediction. As such, we hope to stimulate researchers to consider using computational tools when investigating these intriguing materials. In the concluding remarks, we address future challenges faced by the field and formulate our vision on how computational methods could help overcoming them.
Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Tipo de estudo:
Prognostic_studies
/
Risk_factors_studies
Idioma:
En
Revista:
Gels
Ano de publicação:
2021
Tipo de documento:
Article
País de afiliação:
Bélgica