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Estudo de Dinâmica Molecular de Nano-estruturas

Estudo de Dinâmica Molecular de Nano-estruturas

Farzaneh Memarian / Masoud Darvish Ganji / Maziar Dehghan

73,89 €
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Editorial:
KS OmniScriptum Publishing
Año de edición:
2025
Materia
Mecánica clásica
ISBN:
9786203915105
73,89 €
IVA incluido
Disponible

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Sobre IBD

Atualmente, com a melhoria das capacidades dos computadores, a modelação molecular tornou-se uma técnica poderosa na química computacional com um interesse prático cada vez maior. Atualmente, a utilização de algoritmos eficazes, juntamente com processadores potentes, permite-nos simular sistemas que incluem milhares de átomos até vários microssegundos. No entanto, encontrar um equilíbrio entre os custos computacionais e a fiabilidade dos resultados continua a ser um desafio. Duas abordagens gerais ajudam-nos a revelar o comportamento destes sistemas: a mecânica quântica e os cálculos de dinâmica molecular. A dinâmica molecular (DM) estuda o movimento de um conjunto de átomos, moléculas ou partículas em interação. A MD pode extrair observáveis experimentais da dinâmica do sistema, investigando o movimento do sistema.

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