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First-Principles Simulations of Alloy Thermodynamics in Megabar Pressure Range
Springer Verlag | 2010| -
Accurate prediction of high-temperature elastic constants of Ti0.5Al0.5N random alloy
Free accessBASE | 2021| -
First-principles theory of the pressure-induced invar effect in FeNi alloys
Free accessBASE | 2023| -
Structural and magnetic ground-state properties of gamma-FeMn alloys from ab initio calculations
Free accessBASE | 2011| -
Temperature dependent effective third order interatomic force constants from first principles
Free accessArXiv | 2013| -
First Principles Theory of the Pressure Induced Invar Effect in FeNi Alloys
Free accessArXiv | 2023| -
Effect of Re content on elastic properties of B2 NiAl from ab initio calculations
Free accessBASE | 2014| -
ADAQ : Automatic workflows for magneto-optical properties of point defects in semiconductors
Free accessBASE | 2021| -
Electronic structure of the magnetic halide double perovskites Cs-2(Ag, Na)FeCl6 from first principles
Free accessBASE | 2023| -
ADAQ: Automatic workflows for magneto-optical properties of point defects in semiconductors
Free accessArXiv | 2020| -
Anharmonicity and Ultralow Thermal Conductivity in Lead-Free Halide Double Perovskites
Free accessBASE | 2020|
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