| Wannier90 as a community code: new features and applications G Pizzi, V Vitale, R Arita, S Blügel, F Freimuth, G Géranton, M Gibertini, ... Journal of Physics: Condensed Matter 32 (16), 165902, 2020 | 1287 | 2020 |
| The ONETEP linear-scaling density functional theory program JCA Prentice, J Aarons, JC Womack, AEA Allen, L Andrinopoulos, ... The Journal of chemical physics 152 (17), 2020 | 143 | 2020 |
| Hartree theory calculations of quasiparticle properties in twisted bilayer graphene ZAH Goodwin, V Vitale, X Liang, AA Mostofi, J Lischner Electronic Structure 2 (3), 034001, 2020 | 60 | 2020 |
| Flat band properties of twisted transition metal dichalcogenide homo-and heterobilayers of MoS , MoSe , WS and WSe V Vitale, K Atalar, AA Mostofi, J Lischner 2D Materials 8 (4), 045010, 2021 | 56 | 2021 |
| Automated high-throughput Wannierisation V Vitale, G Pizzi, A Marrazzo, JR Yates, N Marzari, AA Mostofi npj Computational Materials 6 (1), 66, 2020 | 45 | 2020 |
| Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory V Vitale, J Dziedzic, A Albaugh, AMN Niklasson, T Head-Gordon, ... The Journal of chemical physics 146 (12), 124115, 2017 | 32 | 2017 |
| Optical read-out of Coulomb staircases in a moiré superlattice via trapped interlayer trions H Baek, M Brotons-Gisbert, A Campbell, V Vitale, J Lischner, K Watanabe, ... Nature nanotechnology 16 (11), 1237-1243, 2021 | 31 | 2021 |
| Effect of bilayer stacking on the atomic and electronic structure of twisted double bilayer graphene X Liang, ZAH Goodwin, V Vitale, F Corsetti, AA Mostofi, J Lischner Physical Review B 102 (15), 155146, 2020 | 31 | 2020 |
| Critical role of device geometry for the phase diagram of twisted bilayer graphene ZAH Goodwin, V Vitale, F Corsetti, DK Efetov, AA Mostofi, J Lischner Physical Review B 101 (16), 165110, 2020 | 31 | 2020 |
| Exciton-polarons in the presence of strongly correlated electronic states in a MoSe2/WSe2 moiré superlattice AJ Campbell, M Brotons-Gisbert, H Baek, V Vitale, T Taniguchi, ... npj 2D Materials and Applications 6 (1), 79, 2022 | 25 | 2022 |
| Anharmonic Infrared Spectroscopy through the Fourier Transform of Time Correlation Function Formalism in ONETEP V Vitale, J Dziedzic, SMM Dubois, H Fangohr, CK Skylaris Journal of chemical theory and computation 11 (7), 3321-3332, 2015 | 23 | 2015 |
| Flat bands, electron interactions and magnetic order in magic-angle mono-trilayer graphene ZAH Goodwin, L Klebl, V Vitale, X Liang, V Gogtay, X van Gorp, ... Physical Review Materials 5 (8), 084008, 2021 | 18 | 2021 |
| Short versus long range exchange interactions in twisted bilayer graphene A Jimeno-Pozo, ZAH Goodwin, PA Pantaleón, V Vitale, L Klebl, ... Advanced Physics Research 2300048, 2023 | 2 | 2023 |
| The interplay of field-tunable strongly correlated states in a multi-orbital moiré system AJ Campbell, V Vitale, M Brotons-Gisbert, H Baek, A Borel, TV Ivanova, ... Nature Physics, 1-8, 2024 | 1 | 2024 |
| Atomistic Hartree theory of twisted double bilayer graphene near the magic angle CTS Cheung, ZAH Goodwin, V Vitale, J Lischner, AA Mostofi Electronic Structure 4 (2), 025001, 2022 | 1 | 2022 |
| Computational methods for first-principles molecular dynamics with linear-scaling density functional theory V Valerio University of Southampton, 2017 | 1 | 2017 |
| M.; Mostofi, AA; Payne, MC; Skylaris, C.-K. The ONETEP linearscaling density functional theory program G Teobaldi, V Vitale, N Yeung, TJ Zuehlsdorff, J Dziedzic, PD Haynes, ... J. Chem. Phys 152, 174111, 2020 | | 2020 |
| Wannier90 as a community code: new features and applications/Working Paper G Pizzi, V Vitale, SS Tsirkin arXiv. org, 2019 | | 2019 |
| WANNIER90 v3.1.0: Solution booklet V Vitale http://www.wannier.org, 2019 | | 2019 |
| Born-Oppenheimer Molecular Dynamics in ONETEP MM Simon, V Vitale | | 2016 |
Johannes LischnerImperial College London在 imperial.ac.uk 的电子邮件经过验证
