Molecular and Materials Design

Molecular and Materials Design

Nadezhda Andreeva / Vitaly Chaban

74,82 €
IVA incluido
Disponible
Editorial:
KS OmniScriptum Publishing
Año de edición:
2025
Materia
Química física
ISBN:
9783659840296
74,82 €
IVA incluido
Disponible

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The concept of the potential energy landscape (PEL) plays a pivotal role in understanding microscopic patterns and meticulous engineering of novel chemical structures. This succinct book examines the historical evolution of the PEL concept and its diverse applications in materials design. The account for the available theoretical algorithms is accompanied by a critical discussion, highlighting relevant modern research endeavors, such as fine-tuning electrolyte structural and transport properties, improving the capacities and decreasing the costs of gas scavengers, and producing more sustainable designs of energy-storage devices. Specific applications of the PEL for systematizing molecular design endeavors are discussed. The monograph represents an indispensable introduction to modern in-silico materials design and molecular design for graduate students and experimentalists performing across chemistry and physics.

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