EOS and Materials Theory: Methods



		M E T H O D S Electronic Structure and Quantum Simulations Klepeis, Söderlind, Benedict, Hood, Landa, Lee, Orlikowski, Pask, Sterne, Wu, Yang, McMahan Full-Potential Linear Muffin-Tin Orbital Method Klepeis, Söderlind, McMahan, Orlikowski Exact Muffin-Tin Orbital Method Landa Planewave Pseudopotential Method Yang, Hood Linearized Augmented Planewave Method Pask Finite Element Method Pask, Sterne Quantum Monte Carlo for Metals Hood, Pask, Williamson, DuBois, Sadigh Dynamical Mean-Field Theory Landa, McMahan Tight-Binding Wu, Klepeis Quantum-Based Interatomic Potentials Moriarty, Benedict, Hood Atomistic Simulation: MS and MD Yang, Hood, Lee, Rudd Concurrent Multiscale Modeling Rudd Green's Function Simulation Method for Dislocations Yang Dislocation Dynamics Tang Continuum Modeling Orlikowski, Wu LLNL-WEB-404039