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Conception de molécules et de matériaux

Conception de molécules et de matériaux

Nadezhda Andreeva / Vitaly Chaban

76,44 €
IVA incluido
Disponible
Editorial:
KS OmniScriptum Publishing
Año de edición:
2025
Materia
Química física
ISBN:
9786209217418
76,44 €
IVA incluido
Disponible

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Sobre IBD

Le concept de paysage d’énergie potentielle (PEL) joue un rôle essentiel dans la compréhension des modèles microscopiques et dans l’ingénierie méticuleuse de nouvelles structures chimiques. Ce livre succinct examine l’évolution historique du concept de paysage d’énergie potentielle et ses diverses applications dans la conception de matériaux. L’exposé des algorithmes théoriques disponibles est accompagné d’une discussion critique, mettant en lumière les efforts de recherche modernes pertinents, tels que l’affinement des propriétés structurelles et de transport des électrolytes, l’amélioration des capacités et la réduction des coûts des piégeurs de gaz, et la production de conceptions plus durables de dispositifs de stockage de l’énergie. Des applications spécifiques du PEL pour systématiser les efforts de conception moléculaire sont discutées. Cette monographie constitue une introduction indispensable à la conception moderne de matériaux in silico et à la conception moléculaire pour les étudiants de troisième cycle et les expérimentateurs travaillant dans les domaines de la chimie et de la physique.

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