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  • Robert John Nicholas Baldock
    978-3-319-66769-0
    2017
    Edition 1
    • Nominated as an outstanding PhD thesis by the University of Cambridge, UK
    • Enables the calculation of partition functions as explicit functions of temperature for realistic models of materials directly from atomic interactions
    • Allows the determination of complete phase diagrams and pressure–volume–temperature equations of state
    • Illustrates the efficiency of the algorithm which paves the way for the automated calculation of phase diagrams
    • Includes supplementary material: sn.pub/extras
    €180 €162
    10% OFF

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