{"paper":{"title":"Advanced capabilities for materials modelling with Quantum ESPRESSO","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"A. Dal Corso, A. Ferretti, A. Floris, A. Kokalj, A. Otero-de-la-Roza, A. P. Seitsonen, A. Smogunov, B. Santra, C. Cavazzoni, D. Ceresoli, D. Rocca, E. K\\\"u\\c{c}\\\"ukbenli, F. Giustino, F. Mauri, G. Fratesi, G. Fugallo, H.-V. Nguyen, H.-Y. Ko, I. Carnimeo, I. Timrov, J. Jia, L. Paulatto, M. Buongiorno Nardelli, M. Calandra, M. Cococcioni, M. Kawamura, M. Lazzeri, M. Marsili, M. Schlipf, N. Colonna, N. L. Nguyen, N. Marzari, N. Vast, O. Andreussi, O. Bunau, P. Delugas, P. Giannozzi, P. Umari, R. A. DiStasio Jr., R. Car, R. Gebauer, R. Sabatini, S. Baroni, S. de Gironcoli, S. Ponc\\'e, T. Brumme, T. Gorni, T. Thonhauser, U. Gerstmann, X. Wu","submitted_at":"2017-09-28T15:09:26Z","abstract_excerpt":"Quantum ESPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the art electronic-structure techniques, based on density-functional theory, density-functional perturbation theory, and many-body perturbation theory, within the plane-wave pseudo-potential and projector-augmented-wave approaches. Quantum ESPRESSO owes its popularity to the wide variety of properties and processes it allows to simulate, to its performance on an increasingly broad array of hardware architectures, and to a community of researchers that rely on its capabiliti"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1709.10010","kind":"arxiv","version":1},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"}