Publications

Showing entries 60 - 80 out of 566

2017


Lahnsteiner J. Advanced Ab-Initio Molecular Dynamics Techniques applied to MAPbI3. 2017. Poster session presented at 3rd International Conference on Perovskite Solar Cells and Optoelectronics, Oxford, United Kingdom.


Bokdam M. Assessing density functionals using many body theory for hybrid perovskites. 2017. Poster session presented at 4th International Conference on Perovskite Solar Cells and Optoelectronics, Lausanne, Switzerland.


Schäfer T. Highly parallelized MP2 for solids with quartic scaling. 2017. Poster session presented at Autumn School on Correlated Electrons: Quantum Materials: Experiments and Theory, Jülich , Germany.


Dengg T, Razumovskiy V, Romaner L, Kresse G, Puschnig P, Spitaler J. Thermal expansion coefficient of WRe alloys from first principles. Physical Review B. 2017 Jul 26;96(3). 035148. doi.org/10.1103/PhysRevB.96.035148


Di Sante D, Das PK, Bigi C, Ergönenc Z, N. G, Krieger JA et al. Three-Dimensional Electronic Structure of the Type-II Weyl Semimetal WTe2. Physical Review Letters. 2017 Jul 14;119(2). 026403. doi.org/10.1103/PhysRevLett.119.026403


Schäfer T. High performance and low complexity algorithm for MP2 calculations in solids. 2017. Poster session presented at XXIX IUPAP Conference on Computational Physics, Paris, France.


Hummer K. Exciton binding energies in group-III monochalcogenides. 2017. Poster session presented at Graphene 2017, Barcelon, Spain.


Schäfer T, Kresse G. MP2 correlation energy for crystalline solids: A low complexity, high performance algorithm. 2017. Poster session presented at Austrian HPC Meeting 2017, Grundlsee, Austria.


Reticcioli M. Polaron-mediated surface reconstruction in the reduced Rutile TiO2 (110) surface. 2017. Poster session presented at Winter School "Computational Magnetism", Vienna, Austria.


Showing entries 60 - 80 out of 566