Formation and Dynamics of Imidazole Supramolecular Chains Investigated by Deep Potential Molecular Dynamics Simulation
Imidazole-based materials have attracted considerable attention due to their promising potential for facilitating anhydrous proton transport at high temperatures. Herein, a machine learning-based deep potential (DP) model for bulk imidazole with first-principles accuracy is developed. The trained mo...
Description complète
Détails bibliographiques
| Publié dans: | Langmuir : the ACS journal of surfaces and colloids. - 1985. - 40(2024), 45 vom: 12. Nov., Seite 23864-23871
|
|---|
| Auteur principal: |
Zhang, Jianwei
(Auteur) |
|---|
| Autres auteurs: |
Lei, Jinyu,
Feng, Pu,
Chen, Wenduo,
Zhou, Jiajia,
Zhang, Guangzhao |
|---|
| Format: | Article en ligne
|
|---|
| Langue: | English |
|---|
| Publié: |
2024
|
|---|
| Accès à la collection: | Langmuir : the ACS journal of surfaces and colloids
|
|---|
| Sujets: | Journal Article |
|---|