Publications

Showing entries 0 - 20 out of 562

2019


Wende F, Marsman M, Kim J, Vasilev F, Zhao Z, Steinke T. OpenMP in VASP: Threading and SIMD. International Journal of Quantum Chemistry. 2019 Jun 15;119(12). e25851. doi.org/10.1002/qua.25851


2018


Ramberger B, Kresse G. Calculating forces in the random phase approximation in solids. 2018. Poster session presented at 14th ViCoM Workshop, Krumbach, Austria.


Holzer C, Gui X, Harding ME, Kresse G, Helgaker T, Klopper W. Bethe-Salpeter correlation energies of atoms and molecules. Journal of Chemical Physics. 2018 Oct 14;149(14). 144106. doi.org/10.1063/1.5047030


Lahnsteiner J, Kresse G, Bokdam M. Finite temperature structure of hybrid perovskites from ab-initio and classical MD. 2018. Poster session presented at International Workshop on Computational Design and Discovery of Novel Materials, Lausanne, Switzerland.


Showing entries 0 - 20 out of 562