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Ab-initio Assisted Petrology

Ab-initio Assisted Petrology

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Ab-initio Assisted Petrology

Giulio Armando Ottonello | Marco Attene | Marino Vetuschi Zuccolini

Science / Chemistry / General

This book provides a promotional exercise to foster the application of quantum mechanics to petrology. It addresses long-standing discrepancies in high-pressure melting data and provides a full appraisal of anharmonicity, essential for computing heat capacities, Gibbs free energy, and energy landscapes. Unlike empirical models, quantum-mechanical simulations deliver first-principles accuracy for complex systems, from pure oxides to quaternary compositions, using advanced mathematical tools like Delaunay Fragmentation and Convex Hull Analysis.


Publication Date: 22 May 2026
Publisher: Springer Nature Switzerland
Imprint: Springer
ISBN-13: 9783032256577
Format: Hardback
Page Count: 202

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