Theory and Application of Quantum-Based Interatomic Potentials in Metals and Alloys
Theory and Application of Quantum-Based Interatomic Potentials in ...
Contenu
The book spans the entire QBIP process from foundation in fundamental theory, to development and machine-learning optimization of accurate potentials for real materials, to the application of the potentials to materials modeling and simulation of structural, thermodynamic, defect and mechanical properties of important metals and alloys.