Publications

Showing entries 0 - 20 out of 577

2019


Minkowski MS, Hummer K, Dellago C. Neural Network-Based Study of Point Defect Diffusion in Lead Telluride and Cadmium Telluride. 2019. Poster session presented at Molecular and materials simulation at the turn of the decade: Celebrating 50 years of CECAM
, Lausanne, Switzerland.


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


Showing entries 0 - 20 out of 577