2014 |
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First-principles study of multiferroic RbFe(MoO4)2 Journal Article In: Physical Review B, vol. 90, pp. 024402, 2014. | |
Structure of a water monolayer on the anatase TiO2(101) surface Journal Article In: Physical Review Applied, vol. 2, pp. 014001, 2014. | |
Time-dependent density functional theory using atomic orbitals and the self-consistent Sternheimer equation Journal Article In: Physical Review B, vol. 89, pp. 085129, 2014. | |
Steric engineering of metal-halide perovskites with tunable optical band gaps Journal Article In: Nature Communications, vol. 5, pp. 5757, 2014. | |
TiO2 anatase with a bandgap in the visible region Journal Article In: Nano Letters, vol. 14, no. 11, pp. 6533-6538, 2014. | |
Unified theory of electron-phonon renormalization and phonon-assisted optical absorption Journal Article In: Journal of Physics: Condensed Matter, vol. 26, pp. 365503, 2014. | |
Linear optical response of finite systems using multishift linear system solvers Journal Article In: The Journal of Chemical Physics, vol. 141, no. 4, pp. 044117, 2014. | |
Atomic-scale observation of multiconformational binding and energy level alignment of ruthenium-based photosensitizers on TiO2 anatase Journal Article In: Nano Letters, vol. 14, no. 2, pp. 563-569, 2014. | |
2013 |
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Ab initio Sternheimer-GW method for quasiparticle calculations using plane waves Journal Article In: Physical Review B, vol. 88, pp. 075117, 2013. | |
GW quasiparticle band structures of stibnite, antimonselite, bismuthinite, and guanajuatite Journal Article In: Physical Review B, vol. 87, pp. 205125, 2013. | |
Quantum nuclear dynamics in the photophysics of diamondoids Journal Article In: Nature Communications, vol. 4, pp. 2006, 2013. | |
Anisotropic Migdal-Eliashberg theory using Wannier functions Journal Article In: Physical Review B, vol. 87, pp. 024505, 2013. | |
2012 |
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Quantitative analysis of valence photoemission spectra and quasiparticle excitations at chromophore-semiconductor interfaces Journal Article In: Physical Review Letters, vol. 109, pp. 116801, 2012. | |
Dielectric screening in extended systems using the self-consistent Sternheimer equation and localized basis sets Journal Article In: Physical Review B, vol. 85, pp. 245125, 2012. | |
Modeling the role of the fluorine dopant in the magnetic phase diagram of LaFeAsO_1-xF_x superconductors Journal Article In: Physical Review B, vol. 85, pp. 174519, 2012. | |
GW quasiparticle bandgaps of anatase TiO2 starting from DFT+U Journal Article In: Journal of Physics: Condensed Matter, vol. 24, no. 20, pp. 202201, 2012. | |
First-principles investigation of hyperfine interactions for nuclear spin entanglement in photoexcited fullerenes Journal Article In: Physical Review B, vol. 85, pp. 115430, 2012. | |
Strong carrier lifetime enhancement in GaAs nanowires coated with semiconducting polymer Journal Article In: Nano Letters, vol. 12, no. 12, pp. 6293-6301, 2012. | |
Ideal energy-level alignment at the ZnO/P3HT photovoltaic interface Journal Article In: Advanced Functional Materials, vol. 22, no. 24, pp. 5089-5095, 2012. | |
Performance of local orbital basis sets in the self-consistent Sternheimer method for dielectric matrices of extended systems Journal Article In: The European Physical Journal B, vol. 85, pp. 321, 2012. |
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