Metodi di simulazione numerica in Chimica Fisica Dario Bressanini Universita degli Studi dellInsubria III anno della Laurea triennale in Scienze Chimiche Corso di Complementi di Chimica Fisica – 3 crediti
2 Le Basi Della Chimica Atomi, Molecole, Cristalli, Materiali,... Meccanica Quantistica Cinetica/Termodinamica Statistica Termodinamica Tutta la Chimica I anno II anno III anno 1 Kg
3 An intelligent being who, at a given moment, knows all the forces that cause nature to move and the positions of the objects that it is made from, if also it is powerful enough to analyze this data, would have described in the same formula the movements of the largest bodies of the universe and those of the lightest atoms Laplace, 1820 The underlying physical laws necessary for the mathematical theory of a large part of physics and the whole of chemistry are thus completely known, and the difficulty is only that the exact application of these laws leads to equations much too complicated to be soluble. The underlying physical laws necessary for the mathematical theory of a large part of physics and the whole of chemistry are thus completely known, and the difficulty is only that the exact application of these laws leads to equations much too complicated to be soluble. Dirac, 1929
4 Pensare per Modelli René Magritte
5 Modelli e Astrazione
6 Equazione di Stato dei gas ideali
7 Equazione di Stato Sperimentale
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9 Funzioni di distribuzione
10 Ghiaccio Acqua Diagramma di Fase dellAcqua
11 I Padri della Termodinamica Statistica Ludwig Boltzmann James Clerk Maxwell
12 Calcolo di Proprietà
14 Metodo Monte Carlo
18 Fasci Molecolari
20 La Chimica al Computer
Alla prossima lezione....
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24 Fig (P 466)