Publications

Showing entries 20 - 40 out of 588

2019


Baimuratov AS, Martynenko I, Baranov A, Fedorov A, Rukhlenko ID, Kruchinin SY. Giant Stokes Shifts in AgInS2 Nanocrystals with Trapped Charge Carriers. Journal of Physical Chemistry C. 2019 Jul 4;123(26):16430-16438. doi.org/10.1021/acs.jpcc.9b03537


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


Lahnsteiner J, Kresse G, Heinen J, Bokdam M. Finite temperature structure of Hybrid Perovskites from ab-initio and classical MD. 2019. Poster session presented at DPG-Frühjahrstagung 2019, Regensburg, Germany.


Fiore Mosca D, Franchini C, Khmelevskyi S. Quantum Magnetism in Osmates Double Perovskites. 2019. Poster session presented at International Focus Workshop: Computational Approaches to Magnetic Systems, Daejeon, Korea, Republic of.


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


Showing entries 20 - 40 out of 588