Automating first-principles phase diagram calculations
- 1 August 2002
- journal article
- Published by Springer Science and Business Media LLC in Journal of Phase Equilibria and Diffusion
- Vol. 23 (4), 348-359
- https://doi.org/10.1361/105497102770331596
Abstract
No abstract availableKeywords
Other Versions
This publication has 34 references indexed in Scilit:
- Phase diagram and low-temperature behavior of oxygen ordering in using ab initio interactionsPhysical Review B, 1990
- Soft self-consistent pseudopotentials in a generalized eigenvalue formalismPhysical Review B, 1990
- Thermodynamic properties of Si-Ge alloysPhysical Review B, 1988
- Calculated thermal properties of metalsPhysical Review B, 1988
- Monte Carlo Simulation in Statistical PhysicsPublished by Springer Science and Business Media LLC ,1988
- Asymptotic Optimality for $C_p, C_L$, Cross-Validation and Generalized Cross-Validation: Discrete Index SetThe Annals of Statistics, 1987
- Generalized cluster description of multicomponent systemsPhysica A: Statistical Mechanics and its Applications, 1984
- Density-functional theory applied to phase transformations in transition-metal alloysPhysical Review B, 1983
- New Method for Calculating Wave Functions in Crystals and MoleculesPhysical Review B, 1959
- A Theory of Cooperative PhenomenaPhysical Review B, 1951