{"paper":{"title":"Simulation of structural phase transitions by metadynamics","license":"","headline":"","cross_cats":["cond-mat.stat-mech"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"(2) Dipartimento di Scienza dei Materiali, (3) Department of Chemical, A. Laio (1), Applied Biosciences, C. Ceriani (3), Como, Department of Chemistry, ETH Zurich, INFM, Italy, Italy), Lugano, Mathematical Science, M. Bernasconi (2), Milano, M. Parrinello (1) ((1) Computational Science, Physical, P. Raiteri (1), R. Martonak (1), Switzerland, Universita degli Studi di Milano-Bicocca, University of Insubria at Como","submitted_at":"2004-11-22T17:27:32Z","abstract_excerpt":"We describe here in detail the recently introduced methodology for simulation of structural transitions in crystals. The applications of the new scheme are illustrated on various kinds of crystals and the advantages with respect to previous schemes are emphasized. The relevance of the new method for the problem of crystal structure prediction is also discussed."},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"cond-mat/0411559","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":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/cond-mat/0411559/integrity.json","findings":[],"available":true,"detectors_run":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938"},"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"}