TiO2 Anatase with a Bandgap in the Visible Region C Dette, MA Pérez-Osorio, CS Kley, P Punke, CE Patrick, P Jacobson, ...
Nano letters 14 (11), 6533-6538, 2014
689 2014 G W quasiparticle band structures of stibnite, antimonselite, bismuthinite, and guanajuatite MR Filip, CE Patrick, F Giustino
Physical Review B 87 (20), 205125, 2013
211 2013 Structural and electronic properties of semiconductor‐sensitized solar‐cell interfaces CE Patrick, F Giustino
Advanced Functional Materials 21 (24), 4663-4667, 2011
159 2011 GW quasiparticle bandgaps of anatase TiO2 starting from DFT+ U CE Patrick, F Giustino
Journal of Physics: Condensed Matter 24 (20), 202201, 2012
110 2012 Stochastic approach to phonon-assisted optical absorption M Zacharias, CE Patrick, F Giustino
Physical review letters 115 (17), 177401, 2015
109 2015 Quantum nuclear dynamics in the photophysics of diamondoids CE Patrick, F Giustino
Nature communications 4 (1), 2006, 2013
107 2013 Anharmonic stabilization and band gap renormalization in the perovskite CsSnI 3 CE Patrick, KW Jacobsen, KS Thygesen
Physical Review B 92 (20), 201205, 2015
106 2015 Atomic-Scale Observation of Multiconformational Binding and Energy Level Alignment of Ruthenium-Based Photosensitizers on TiO2 Anatase CS Kley, C Dette, G Rinke, CE Patrick, J Čechal, SJ Jung, M Baur, ...
Nano letters 14 (2), 563-569, 2014
80 2014 Unified theory of electron–phonon renormalization and phonon-assisted optical absorption CE Patrick, F Giustino
Journal of Physics: Condensed Matter 26 (36), 365503, 2014
70 2014 Adiabatic-connection fluctuation-dissipation DFT for the structural properties of solids—The renormalized ALDA and electron gas kernels CE Patrick, KS Thygesen
The Journal of Chemical Physics 143 (10), 2015
69 2015 Simple vertex correction improves band energies of bulk and two-dimensional crystals PS Schmidt, CE Patrick, KS Thygesen
Physical Review B 96 (20), 205206, 2017
52 2017 Structure of a Water Monolayer on the Anatase Surface CE Patrick, F Giustino
Physical Review Applied 2 (1), 014001, 2014
50 2014 Rare-earth/transition-metal magnetic interactions in pristine and (Ni,Fe)-doped and JBS CE Patrick, S. Kumar, G. Balakrishnan, RS Edwards, MR Lees, E. Mendive ...
Phys. Rev. Mater. 1, 024411, 2017
45 * 2017 Beyond the RPA and GW methods with adiabatic xc-kernels for accurate ground state and quasiparticle energies T Olsen, CE Patrick, JE Bates, A Ruzsinszky, KS Thygesen
npj Computational Materials 5 (1), 106, 2019
41 2019 Temperature-dependent magnetocrystalline anisotropy of rare earth/transition metal permanent magnets from first principles: the light R Co 5 (R= Y, La-Gd) intermetallics CE Patrick, JB Staunton
Physical Review Materials 3 (10), 101401, 2019
41 2019 Calculating the magnetic anisotropy of rare-earth–transition-metal ferrimagnets CE Patrick, S Kumar, G Balakrishnan, RS Edwards, MR Lees, L Petit, ...
Physical review letters 120 (9), 097202, 2018
39 2018 Rare-earth/transition-metal magnets at finite temperature: Self-interaction-corrected relativistic density functional theory in the disordered local moment picture CE Patrick, JB Staunton
Physical Review B 97 (22), 224415, 2018
35 2018 O 1 s core-level shifts at the anatase TiO 2 (101)/N3 photovoltaic interface: Signature of H-bonded supramolecular assembly CE Patrick, F Giustino
Physical Review B 84 (8), 085330, 2011
31 2011 Quantitative analysis of valence photoemission spectra and quasiparticle excitations at chromophore-semiconductor interfaces CE Patrick, F Giustino
Physical Review Letters 109 (11), 116801, 2012
30 2012 corrected Hamiltonians for non-self-consistent random-phase approximation total-energy calculations: A study of ZnS, , and NiOCE Patrick, KS Thygesen
Physical Review B 93 (3), 035133, 2016
27 2016