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Studio della dinamica molecolare delle nanostrutture

Studio della dinamica molecolare delle nanostrutture

Farzaneh Memarian / Masoud Darvish Ganji / Maziar Dehghan

73,83 €
IVA incluido
Disponible
Editorial:
KS OmniScriptum Publishing
Año de edición:
2025
Materia
Mecánica clásica
ISBN:
9786203914788
73,83 €
IVA incluido
Disponible

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Sobre IBD

Oggi, grazie al miglioramento delle capacità dei computer, la modellazione molecolare è diventata una tecnica potente nella chimica computazionale con interessi pratici sempre crescenti. Attualmente, l’utilizzo di algoritmi efficaci e di potenti processori ci consente di simulare sistemi che comprendono migliaia di atomi per diversi microsecondi. Tuttavia, trovare un equilibrio tra i costi di calcolo e l’affidabilità dei risultati rimane ancora una sfida. Due approcci generali ci aiutano a rivelare il comportamento di questi sistemi: la meccanica quantistica e i calcoli di dinamica molecolare. La dinamica molecolare (MD) studia il moto di un insieme di atomi, molecole o particelle che interagiscono tra loro. La MD è in grado di estrarre osservabili sperimentali dalla dinamica del sistema studiando il moto del sistema stesso.

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