| 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), 718, 2012 | 216 | 2012 |
| Cubic scaling GW: Towards fast quasiparticle calculations P Liu, M Kaltak, J Klimeš, G Kresse Physical Review B 94 (16), 165109, 2016 | 155 | 2016 |
| Anisotropic magnetic couplings and structure-driven canted to collinear transitions in SrIrO 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 | 96 | 2015 |
| 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 | 91 | 2017 |
| Thermal transport and phase transitions of zirconia by on-the-fly machine-learned interatomic potentials C Verdi, F Karsai, P Liu, R Jinnouchi, G Kresse npj Computational Materials 7 (1), 156, 2021 | 86 | 2021 |
| Beyond the quasiparticle approximation: Fully self-consistent GW calculations M Grumet, P Liu*, M Kaltak, J Klimeš, G Kresse* Physical Review B 98 (15), 155143, 2018 | 85 | 2018 |
| Flatband λ-Ti3O5 towards extraordinary solar steam generation B Yang, Z Zhang, P Liu, X Fu, J Wang, Y Cao, R Tang, X Du, W Chen, S Li, ... Nature 622 (7983), 499-506, 2023 | 78 | 2023 |
| Interstitial-boron solution strengthened WB X Cheng, W Zhang, XQ Chen, H Niu, P Liu, K Du, G Liu, D Li, HM Cheng, ... Applied Physics Letters 103 (17), 2013 | 78 | 2013 |
| 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, 2565-2590, 2017 | 65 | 2017 |
| Effects of dilute substitutional solutes on interstitial carbon in -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 | 61 | 2014 |
| 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 | 55 | 2018 |
| Deciphering the phase transition-induced ultrahigh piezoresponse in (K,Na)NbO3-based piezoceramics MH Zhang, C Shen, C Zhao, M Dai, FZ Yao, B Wu, J Ma, H Nan, D Wang, ... Nature Communications 13 (1), 3434, 2022 | 54 | 2022 |
| 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 | 53 | 2018 |
| Parametrization of LSDA+U for noncollinear magnetic configurations: Multipolar magnetism in UO SL Dudarev†, P Liu†, DA Andersson, CR Stanek, T Ozaki, C Franchini Physical Review Materials 3 (8), 083802, 2019 | 51 | 2019 |
| Dimensionality-strain phase diagram of strontium iridates B Kim, P Liu, C Franchini Physical Review B 95 (11), 115111, 2017 | 49 | 2017 |
| 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 | 47 | 2019 |
| First-principles study on the electronic structure of PbCu(PO)O (x= 0, 1) J Lai, J Li, P Liu*, Y Sun*, XQ Chen Journal of Materials Science & Technology 171, 66-70, 2023 | 45 | 2023 |
| 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), 5, 2019 | 42 | 2019 |
| 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 | 42 | 2016 |
| phase transition of zirconium predicted by on-the-fly machine-learned force field P Liu, C Verdi, F Karsai, G Kresse Physical Review Materials 5 (5), 053804, 2021 | 34 | 2021 |
Cesare FranchiniUniversity of Vienna & University of Bologna在 univie.ac.at 的电子邮件经过验证
