Thermodynamic description of the Al–Cu–Mg–Mn–Si quinary system and its application to solidification simulation

Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

Georg Kresse, J. Furthmüller · Physical review. B, Condensed matter · 1996 · 120.5K citations

Natural Sciences, Chemistry, Computational Chemistry +15

Special points for Brillouin-zone integrations

Hendrik J. Monkhorst, J.D. Pack · Physical review. B, Solid state · 1976 · 70.3K citations

Natural Sciences, Physics, Computational Electromagnetics +6

The Thermo-Calc databank system

Bo Sundman, Bo Jansson, Jan-Olof Andersson · Calphad · 1985 · 3.3K citations

Computing, Computer Science, Computational Thermodynamics +7

The Regular Solution Model for Stoichiometric Phases and Ionic Melts.

Mats Hillert, Lars-Ingvar Staffansson · Acta chemica Scandinavica/Acta chemica Scandinavica. B, Organic chemistry and biochemistry/Acta chemica Scandinavica. A, Physical and inorganic chemistry/Acta chemica Scandinavica. Series B. Organic chemistry and biochemistry/Acta chemica Scandinavica. Series A, Physical and inorganic chemistry · 1970 · 1.2K citations · Full text

Natural Sciences, Chemistry, Materials Science +16

A regular solution model for phases with several components and sublattices, suitable for computer applications

Bo Sundman, John Ågren · Journal of Physics and Chemistry of Solids · 1981 · 969 citations

Natural Sciences, Computer Engineering, Materials Science +13