Two postdoc positions at PSI (SCD/LMS): Development and implementation of novel electronic-structure methods and algorithms | |
These two PASC projects focus on advancing electronic-structure simulations by implementing novel mixed-precision numerical algorithms in the DFTK.jl and SIRIUS libraries, enhancing their integration with Quantum ESPRESSO, and to incorporate advanced electronic-structure functionals based on frequency-dependent response functions (dynamical Hubbard functionals) to improve the accuracy and efficiency of first-principles calculations. |
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