Publications

Showing entries 40 - 60 out of 573

2018


Ramberger B, Kresse G. Calculating forces in the random phase approximation in solids. 2018. Poster session presented at From Electrons to Phase Transitions 2018, Vienna, Austria.


Hahn T, Klimin S, Tempere J, Devreese JT, Franchini C. Diagrammatic Monte Carlo study of the Fröhlich polaron dispersion in 2D and 3D. 2018. Poster session presented at School on Electron-Phonon Physics from First Principles , Trieste, Italy.


Reticcioli M. Polaron-mediated surface reconstruction in the reduced Rutile TiO2(110) surface. 2018. Poster session presented at School on Electron-Phonon Physics from First Principles , Trieste, Italy.


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.


Showing entries 40 - 60 out of 573