Publications

Showing entries 61 - 80 out of 558

2019


Reticcioli M, Sokolovic I, Schmid M, Setvin M, Diebold U, Franchini C. The impact of polarons and charge trapping on oxide surfaces. 2019. Poster session presented at Inaugural Symposium for "Computational Materials Program of Excellence”, Skolkovo (Moscow), Russian Federation.


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.


Showing entries 61 - 80 out of 558