Publications

Minkowski M, Hummer K , Dellago C. Cation interstitial diffusion in lead telluride and cadmium telluride studied by means of neural network potential based molecular dynamics simulations. Journal of Physics: Condensed Matter. 2021 Jan 6;33(1):015901. doi: 10.1088/1361-648X/abb740

Göltl F, Conrad S, Wolf P, Müller P, Love AM, Burt SP et al. UV–Vis and Photoluminescence Spectroscopy to Understand the Coordination of Cu Cations in the Zeolite SSZ-13. Chemistry of Materials. 2019 Dec 10;31(23):9582-9592. Epub 2019 Nov. doi: 10.1021/acs.chemmater.9b01439

Molina-Sánchez A, Hummer K, Wirtz L. Vibrational and optical properties of MoS2: From monolayer to bulk. Surface Science Reports. 2015 Dec;70(4):554-586. doi: 10.1016/j.surfrep.2015.10.001

Goeltl F, Bulo RE, Meunier F, Albela B, Bonneviot L, Tuel A et al. Towards the zeolite genome: Understanding the chemical activity of Cu-SSZ-13 in deNO(x)-SCR. American Chemical Society. Abstracts of Papers (at the National Meeting). 2014 Aug 10;248:316-CATL.

Eckhardt C, Hummer K , Kresse G. Indirect-to-direct gap transition in strained and unstrained SnxGe1-x alloys. Physical Review B. 2014 Apr 9;89(16):165201. doi: 10.1103/PhysRevB.89.165201

Sanchez-Barriga J, Varykhalov A, Braun J, Xu SY, Alidoust N, Kornilov O et al. Photoemission of Bi2Se3 with Circularly Polarized Light: Probe of Spin Polarization or Means for Spin Manipulation? Physical Review X. 2014 Mar 24;4(1):011046. doi: 10.1103/PhysRevX.4.011046

Goeltl F, Jiang T, Bulo RF, Zheng Y, Albela B, Tuel A et al. Decoding the zeolite genome of SSZ-13. American Chemical Society. Abstracts of Papers (at the National Meeting). 2014 Mar 16;247.

He J, Hummer K , Franchini C. Stacking effects on the electronic and optical properties of bilayer transition metal dichalcogenides MoS2, MoSe2, WS2, and WSe2. Physical Review B. 2014 Feb 10;89(7):075409. doi: 10.1103/PhysRevB.89.075409

Molina-Sanchez A, Sangalli D, Hummer K, Marini A, Wirtz L. Effect of spin-orbit interaction on the optical spectra of single-layer, double-layer, and bulk MoS2. Physical Review B. 2013 Jul 8;88(4):045412. doi: 10.1103/PhysRevB.88.045412

Kim YS, Hummer K , Kresse G. Accurate band structures and effective masses for InP, InAs, and InSb using hybrid functionals. Physical Review B. 2009;80(3):035203 . doi: 10.1103/PhysRevB.80.035203

Wrobel J, Kurzydlowski KJ, Hummer K , Kresse G, Piechota J. Calculations of ZnO properties using the Heyd-Scuseria-Ernzerhof screened hybrid density functional. Physical Review B. 2009;80(15):155124 . doi: 10.1103/PhysRevB.80.155124

Hummer K, Harl J, Kresse G. Heyd-Scuseria-Ernzerhof hybrid functional for calculating the lattice dynamics of semiconductors. Physical Review B. 2009;80(11):115205. doi: 10.1103/PhysRevB.80.115205

Hummer K. Die Naturwissenschaften sind weiblich. Der Standard. 2008.

Hummer K. Exzellenz braucht Förderung. Wiener Zeitung. 2008.

Grüneis A, Hummer K, Marsman M, Kresse G. Nonlinear behavior of the band gap of Pb1−xEuxSe (0≤x≤1) from first principles. Physical Review B. 2008;78(16):165103. doi: 10.1103/PhysRevB.78.165103

Hummer K. Vorbild: Wissenschaftlerin, "Austria's next Role Model" für Technik und Wissenschaft. Die Presse. 2008.

Hummer K. When clever meets smart: Women in Science. L'Oreal fördert Frauen in der Forschung. News. 2008.

Hummer K, Grüneis A, Kresse G. Structural and electronic properties of lead chalcogenides from first principles. Physical Review B. 2007 May 21;75(19):195211. doi: 10.1103/PhysRevB.75.195211

Paier J, Marsman M, Hummer K , Kresse G, Gerber IC, Angyan JG. Screened hybrid density functionals applied to solids (vol 124, pg 154709 2006). Journal of Chemical Physics. 2006 Dec 28;125(24):249901. doi: 10.1063/1.2403866

Ambrosch-Draxl C, Hummer K, Sagmeister S, Puschnig P. Excitonic effects in molecular crystals built up by small organic molecules. Chemical Physics. 2006 Jun 9;325(1):3-8. doi: 10.1016/j.chemphys.2005.11.038