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Knstlich intelligente Entwicklung von Kraftfeldparametern

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Brand
Springer Nature
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N/A
Part Number
0
GTIN
9783642583261
Condition
New
Product Description

Ein Molekl lsst sich als eine Maschine begreifen, die mit anderen Moleklen in Wechselwirkung tritt. Ein mgliches Ergebnis solcher Wechselwirkung ist der Umbau der Molekle, d.h. eine chemische Reaktion. Verstnde man die Maschine, so lieen sich die Reaktionen vorhersagen, man wsste also, wie sich aus einem Stoff ein anderer, neuer Stoff selektiv machen lsst. Ein Modell fr die Moleklmaschine besteht in seiner Beschreibung als mechanische Maschine mit den Atomen als Gelenken und den Bindungen zwischen ihnen als Federn. Wenn der Bau der Maschine - die Struktur des Molekls - bekannt ist, erfordert diese Beschreibung die Kenntnis der Federkrfte. Es wird gezeigt, wie Algorithmen aus dem Bereich der knstlichen Intelligenz dazu verhelfen, die Federkrfte aus empirischem Material zu extrahieren.

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