| Extra-electron induced covalent strengthening and generalization of intrinsic ductile-to-brittle criterion H Niu, XQ Chen, P Liu, W Xing, X Cheng, D Li, Y Li Scientific reports 2 (1), 1-6, 2012 | 163 | 2012 |
| Cubic scaling G W: Towards fast quasiparticle calculations P Liu, M Kaltak, J Klimeš, G Kresse Physical Review B 94 (16), 165109, 2016 | 96 | 2016 |
| Anisotropic magnetic couplings and structure-driven canted to collinear transitions in Sr 2 IrO 4 by magnetically constrained noncollinear DFT P Liu, S Khmelevskyi, B Kim, M Marsman, D Li, XQ Chen, DD Sarma, ... Physical Review B 92 (5), 054428, 2015 | 80 | 2015 |
| Interstitial-boron solution strengthened WB3+x X Cheng, W Zhang, XQ Chen, H Niu, P Liu, K Du, G Liu, D Li, HM Cheng, ... Applied Physics Letters 103 (17), 171903, 2013 | 67 | 2013 |
| GW100: A Plane Wave Perspective for Small Molecules E Maggio, P Liu, MJ van Setten, G Kresse Journal of chemical theory and computation 13 (2), 635-648, 2017 | 63 | 2017 |
| Effects of dilute substitutional solutes on interstitial carbon in α-Fe: Interactions and associated carbon diffusion from first-principles calculations P Liu, W Xing, X Cheng, D Li, Y Li, XQ Chen Physical Review B 90 (2), 024103, 2014 | 55 | 2014 |
| Merging GW with DMFT and non-local correlations beyond JM Tomczak, P Liu, A Toschi, G Kresse, K Held The European Physical Journal Special Topics 226 (11), 2565-2590, 2017 | 52 | 2017 |
| Beyond the quasiparticle approximation: Fully self-consistent G W calculations M Grumet, P Liu*, M Kaltak, J Klimeš, G Kresse* Physical Review B 98 (15), 155143, 2018 | 50 | 2018 |
| Relativistic +BSE study of the optical properties of Ruddlesden-Popper iridates P Liu, B Kim, XQ Chen, DD Sarma, G Kresse, C Franchini Physical Review Materials 2 (7), 075003, 2018 | 38 | 2018 |
| Converged quasiparticle energies for transition metal oxide perovskites Z Ergönenc, B Kim, P Liu, G Kresse, C Franchini Physical Review Materials 2 (2), 024601, 2018 | 37 | 2018 |
| Dimensionality-strain phase diagram of strontium iridates B Kim, P Liu, C Franchini Physical Review B 95 (11), 115111, 2017 | 37 | 2017 |
| Lifshitz transition driven by spin fluctuations and spin-orbit renormalization in B Kim, P Liu, Z Ergönenc, A Toschi, S Khmelevskyi, C Franchini Physical Review B 94 (24), 241113, 2016 | 35 | 2016 |
| Electron and hole doping in the relativistic Mott insulator Sr 2 IrO 4: A first-principles study using band unfolding technique P Liu, M Reticcioli, B Kim, A Continenza, G Kresse, DD Sarma, XQ Chen, ... Physical Review B 94 (19), 195145, 2016 | 29 | 2016 |
| Assessing model-dielectric-dependent hybrid functionals on the antiferromagnetic transition-metal monoxides MnO, FeO, CoO, and NiO P Liu, C Franchini, M Marsman, G Kresse Journal of Physics: Condensed Matter 32, 015502, 2019 | 27 | 2019 |
| Energetics of the coupled electronic–structural transition in the rare-earth nickelates A Hampel, P Liu, C Franchini, C Ederer npj Quantum Materials 4 (1), 1-7, 2019 | 26 | 2019 |
| Parametrization of LSDA+ U for noncollinear magnetic configurations: Multipolar magnetism in UO 2 SL Dudarev†, P Liu†, DA Andersson, CR Stanek, T Ozaki, C Franchini Physical Review Materials 3 (8), 083802, 2019 | 18 | 2019 |
| Magnetic properties of bilayer : Role of epitaxial strain and oxygen vacancies B Kim, P Liu, C Franchini Physical Review B 95 (2), 024406, 2017 | 18 | 2017 |
| Vacancy formation enthalpy of filled d-band noble metals by hybrid functionals W Xing, P Liu, X Cheng, H Niu, H Ma, D Li, Y Li, XQ Chen Physical Review B 90 (14), 144105, 2014 | 16 | 2014 |
| Strain-induced tuning of the electronic Coulomb interaction in transition metal oxide perovskites B Kim, P Liu, JM Tomczak, C Franchini Physical Review B 98 (7), 075130, 2018 | 15 | 2018 |
| Accurate optical spectra through time-dependent density functional theory based on screening-dependent hybrid functionals A Tal, P Liu, G Kresse, A Pasquarello Phys. Rev. Research 2, 032019(R), 2020 | 14 | 2020 |
Cesare FranchiniUniversity of Vienna & University of BolognaVerified email at univie.ac.at
