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Materials Design 2002
Materials Design
Scientific Progress
1900 Planck
1926 Schrödinger
1937 Slater APW
1951 Slater exchange
1964 Hohenberg and Kohn: DFT
1928 Dirac, Hartree
1900
1950
2000
1930 Fock
1975 LMTO and LAPW
1985 Car-Parrinello
1986 Gradient corrected DFT
1972 Spin-polarized DFT
1959 Pseudopotential method
1998 Nobel Prize for Kohn and Pople
E. Schrödinger
P. A. M. Dirac
D. Hartree
M. Planck
W. Kohn
J. Pople
Louis de Broglie
J. C. Slater
CONCEPTS
METHODS
PREDICTIONS