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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 |