Publications

Showing entries 40 - 60 out of 566

2018


Meier M, Jakub Z, Balajka J, Hulva J, Bliem R, Thakur PK et al. Probing the geometry of copper and silver adatoms on magnetite: quantitative experiment versus theory. Nanoscale. 2018 Feb 7;10(5):2226-2230. doi.org/10.1039/c7nr07319d


Setvin M, Reticcioli M, Poelzleitner F, Hulva J, Schmid M, Boatner LA et al. Polarity compensation mechanisms on the perovskite surface KTaO3(001). Science. 2018 Feb 2;359(6375):572-575. doi.org/10.1126/science.aar2287


Ramberger B, Kresse G. Calculating forces in the random phase approximation in solids. 2018. Poster session presented at Total Energy and Force Methods 2018, Cambridge, United Kingdom.


Schäfer T. Low complexity algorithms for MP2 applied to 3D periodic materials. 2018. Poster session presented at ViCoM Conference, "From Electrons to Phase Transitions", Wien, Austria.


Schäfer T. Low complexity algorithms for MP2 applied to 3D periodic materials. 2018. Poster session presented at 16 th International Congress of Quantum Chemistry, Menton, France.


Schäfer T. Low complexity algorithms for MP2 applied to 3D periodic materials. 2018. Poster session presented at Total Energy and Force Methods 2018, Cambridge, United Kingdom.


2017


Lahnsteiner J. Advanced Ab-Initio Molecular Dynamics Techniques applied to MAPbI3. 2017. Poster session presented at 652. WE-Heraeus-Seminar: Ab initio Electronic Structure Theory for Solids in the 21st Century, Bad Honnef, Germany.


Bokdam M, Ramberger B, Kresse G. Assessing density functionals using many body theory for hybrid perovskites. 2017. Poster session presented at 13th ViCoM Workshop, Stadtschlaining, Austria.


Schäfer T. Low complexity algorithms for MP2 applied to 3D periodic materials. 2017. Poster session presented at 13th ViCoM Workshop, Stadtschlaining, Austria.


Reticcioli M, Setvin M, Hao X, Flauger P, Kresse G, Schmid M et al. Polaron-Driven Surface Reconstructions. Physical Review X. 2017 Sep 25;7(3). 031053. doi.org/10.1103/PhysRevX.7.031053


Liu P. Cubic scaling GW: towards fast quasiparticle calculations. 2017. Poster session presented at 3rd International Workshop on Dynamical Mean-Field Approach for Strongly Correlated Materials, Dresden, Germany.


Showing entries 40 - 60 out of 566