{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,9]],"date-time":"2026-07-09T20:28:24Z","timestamp":1783628904495,"version":"3.55.0"},"reference-count":47,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2026,10,1]],"date-time":"2026-10-01T00:00:00Z","timestamp":1790812800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2026,10,1]],"date-time":"2026-10-01T00:00:00Z","timestamp":1790812800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2026,10,1]],"date-time":"2026-10-01T00:00:00Z","timestamp":1790812800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-017"},{"start":{"date-parts":[[2026,10,1]],"date-time":"2026-10-01T00:00:00Z","timestamp":1790812800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2026,10,1]],"date-time":"2026-10-01T00:00:00Z","timestamp":1790812800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-012"},{"start":{"date-parts":[[2026,10,1]],"date-time":"2026-10-01T00:00:00Z","timestamp":1790812800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2026,10,1]],"date-time":"2026-10-01T00:00:00Z","timestamp":1790812800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-004"}],"funder":[{"DOI":"10.13039\/501100011045","name":"Minist\u00e8re de l'Enseignement sup\u00e9rieur et de la Recherche","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100011045","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Computer Physics Communications"],"published-print":{"date-parts":[[2026,10]]},"DOI":"10.1016\/j.cpc.2026.110291","type":"journal-article","created":{"date-parts":[[2026,6,27]],"date-time":"2026-06-27T15:05:17Z","timestamp":1782572717000},"page":"110291","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":0,"special_numbering":"C","title":["Nexus-CAT: A computational framework to define long-range structural descriptors in glassy materials from percolation theory"],"prefix":"10.1016","volume":"327","author":[{"ORCID":"https:\/\/orcid.org\/0009-0009-5649-9414","authenticated-orcid":false,"given":"Julien","family":"Perradin","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Simona","family":"Ispas","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Anwar","family":"Hasmy","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Bernard","family":"Hehlen","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"issue":"7883","key":"10.1016\/j.cpc.2026.110291_bib0001","doi-asserted-by":"crossref","first-page":"62","DOI":"10.1038\/s41586-021-03918-0","article-title":"Percolation transitions in compressed SiO2 glasses","volume":"599","author":"Hasmy","year":"2021","journal-title":"Nature"},{"key":"10.1016\/j.cpc.2026.110291_bib0002","doi-asserted-by":"crossref","unstructured":"A. Hasmy, B. Hehlen, R. Paredes, Unravelling water anomalies using a percolation approach, 2024.ISSN: 2693\u20135015, 10.21203\/rs.3.rs-5235414\/v1.","DOI":"10.21203\/rs.3.rs-5235414\/v1"},{"key":"10.1016\/j.cpc.2026.110291_bib0003","unstructured":"J. Perradin, S. Ispas, R. Paredes, A. Hasmy, B. Hehlen, Percolation Criticality of Amorphous-Amorphous Transitions in Compressed Glasses, 2026.arXiv: 2606.04748 [cond-mat.dis-nn], 10.48550\/arXiv.2606.04748."},{"issue":"1","key":"10.1016\/j.cpc.2026.110291_bib0004","doi-asserted-by":"crossref","DOI":"10.1038\/ncomms12106","article-title":"The crucial effect of early-stage gelation on the mechanical properties of cement hydrates","volume":"7","author":"Ioannidou","year":"2016","journal-title":"Nat. Commun."},{"key":"10.1016\/j.cpc.2026.110291_bib0005","series-title":"Polyamorphism in vitreous silica under pressure: from percolation transitions to mechanical responses, a molecular dynamics study","author":"Perradin","year":"2025"},{"issue":"3","key":"10.1016\/j.cpc.2026.110291_bib0006","doi-asserted-by":"crossref","DOI":"10.1073\/pnas.2316394121","article-title":"Network physics of attractive colloidal gels: resilience, rigidity, and phase diagram","volume":"121","author":"Nabizadeh","year":"2024","journal-title":"Proc. Natl. Acad. Sci."},{"issue":"10","key":"10.1016\/j.cpc.2026.110291_bib0007","doi-asserted-by":"crossref","first-page":"1506","DOI":"10.1039\/b401308p","article-title":"Polyamorphic transformations in liquids and glasses","volume":"14","author":"McMillan","year":"2004","journal-title":"J. Mater. Chem."},{"issue":"10","key":"10.1016\/j.cpc.2026.110291_bib0008","doi-asserted-by":"crossref","first-page":"964","DOI":"10.1039\/b517775h","article-title":"Structural studies and polymorphism in amorphous solids and liquids at high pressure","volume":"35","author":"Wilding","year":"2006","journal-title":"Chem. Soc. Rev."},{"key":"10.1016\/j.cpc.2026.110291_bib0009","doi-asserted-by":"crossref","first-page":"216","DOI":"10.1016\/j.pmatsci.2013.12.002","article-title":"Pressure-induced amorphization and polyamorphism: inorganic and biochemical systems","volume":"61","author":"Machon","year":"2014","journal-title":"Prog. Mater. Sci."},{"issue":"5976","key":"10.1016\/j.cpc.2026.110291_bib0010","doi-asserted-by":"crossref","first-page":"393","DOI":"10.1038\/310393a0","article-title":"\u2018Melting ice\u2019 i at 77\u202fK and 10 kbar: a new method of making amorphous solids","volume":"310","author":"Mishima","year":"1984","journal-title":"Nature"},{"issue":"3","key":"10.1016\/j.cpc.2026.110291_bib0011","doi-asserted-by":"crossref","first-page":"165","DOI":"10.2183\/pjab.86.165","article-title":"Polyamorphism in water","volume":"86","author":"Mishima","year":"2010","journal-title":"Proc. Japan Acad. Ser. B Phys. Biol. Sci."},{"issue":"36","key":"10.1016\/j.cpc.2026.110291_bib0012","doi-asserted-by":"crossref","first-page":"6059","DOI":"10.1088\/0953-8984\/15\/36\/301","article-title":"High-pressure phase transformations in liquids and amorphous solids","volume":"15","author":"Brazhkin","year":"2003","journal-title":"J. Phys. Condens. Matter"},{"issue":"7840","key":"10.1016\/j.cpc.2026.110291_bib0013","doi-asserted-by":"crossref","first-page":"59","DOI":"10.1038\/s41586-020-03072-z","article-title":"Origins of structural and electronic transitions in disordered silicon","volume":"589","author":"Deringer","year":"2021","journal-title":"Nature"},{"key":"10.1016\/j.cpc.2026.110291_bib0014","doi-asserted-by":"crossref","DOI":"10.25080\/TCWV9851","article-title":"Exploring network structure, dynamics, and function using NetworkX","author":"Hagberg","year":"2008","journal-title":"Python Sci. Conf."},{"issue":"1","key":"10.1016\/j.cpc.2026.110291_bib0015","doi-asserted-by":"crossref","DOI":"10.1088\/0965-0393\/18\/1\/015012","article-title":"Visualization and analysis of atomistic simulation data with OVITO\u2013the open visualization tool","volume":"18","author":"Stukowski","year":"2009","journal-title":"Model. Simul. Mater. Sci. Eng."},{"issue":"10","key":"10.1016\/j.cpc.2026.110291_bib0016","doi-asserted-by":"crossref","first-page":"6449","DOI":"10.1021\/acs.jctc.1c00423","article-title":"An exact algorithm to detect the percolation transition in molecular dynamics simulations of cross-linking polymer networks","volume":"17","author":"Livraghi","year":"2021","journal-title":"J. Chem. Theory Comput."},{"key":"10.1016\/j.cpc.2026.110291_bib0017","unstructured":"atomisticnet\/dribble, 2025.original-date: 2023-02-12T23:05:58Z, https:\/\/github.com\/atomisticnet\/dribble."},{"issue":"13","key":"10.1016\/j.cpc.2026.110291_bib0018","doi-asserted-by":"crossref","DOI":"10.1002\/aenm.201400478","article-title":"The configurational space of rocksalt-type oxides for high-capacity lithium battery electrodes","volume":"4","author":"Urban","year":"2014","journal-title":"Adv. Energy Mater."},{"issue":"6170","key":"10.1016\/j.cpc.2026.110291_bib0019","doi-asserted-by":"crossref","first-page":"519","DOI":"10.1126\/science.1246432","article-title":"Unlocking the potential of cation-disordered oxides for rechargeable lithium batteries","volume":"343","author":"Lee","year":"2014","journal-title":"Science"},{"issue":"10","key":"10.1016\/j.cpc.2026.110291_bib0020","doi-asserted-by":"crossref","DOI":"10.1002\/aenm.201903240","article-title":"Effect of fluorination on lithium transport and short-range order in disordered-rocksalt-type lithium-ion battery cathodes","volume":"10","author":"Ouyang","year":"2020","journal-title":"Adv. Energy Mater."},{"issue":"5","key":"10.1016\/j.cpc.2026.110291_bib0021","doi-asserted-by":"crossref","first-page":"301","DOI":"10.1145\/364099.364331","article-title":"An improved equivalence algorithm","volume":"7","author":"Galler","year":"1964","journal-title":"Commun. ACM"},{"issue":"3","key":"10.1016\/j.cpc.2026.110291_bib0022","doi-asserted-by":"crossref","first-page":"261","DOI":"10.1038\/s41592-019-0686-2","article-title":"SciPy 1.0: fundamental algorithms for scientific computing in python","volume":"17","author":"Virtanen","year":"2020","journal-title":"Nat. Methods"},{"key":"10.1016\/j.cpc.2026.110291_bib0023","doi-asserted-by":"crossref","first-page":"423","DOI":"10.1086\/160000","article-title":"Groups of galaxies. i. nearby groups","volume":"257","author":"Huchra","year":"1982","journal-title":"Astrophys. J."},{"key":"10.1016\/j.cpc.2026.110291_bib0024","first-page":"285","article-title":"The shortest path through a maze","author":"Moore","year":"1959","journal-title":"Proc. Int. Symp. Theory Switching"},{"issue":"2","key":"10.1016\/j.cpc.2026.110291_bib0025","doi-asserted-by":"crossref","first-page":"146","DOI":"10.1137\/0201010","article-title":"Depth-first search and linear graph algorithms","volume":"1","author":"Tarjan","year":"1972","journal-title":"SIAM J. Comput."},{"key":"10.1016\/j.cpc.2026.110291_bib0026","series-title":"Introduction To Percolation Theory: Second Edition","author":"Stauffer","year":"2018"},{"issue":"13","key":"10.1016\/j.cpc.2026.110291_bib0027","doi-asserted-by":"crossref","DOI":"10.1103\/PhysRevB.64.134303","article-title":"Channel diffusion of sodium in a silicate glass","volume":"64","author":"Jund","year":"2001","journal-title":"Phys. Rev. B"},{"issue":"15","key":"10.1016\/j.cpc.2026.110291_bib0028","doi-asserted-by":"crossref","first-page":"10294","DOI":"10.1103\/PhysRevB.40.10294","article-title":"Rigidity of randomly intercalated layered solids","volume":"40","author":"Thorpe","year":"1989","journal-title":"Phys. Rev. B"},{"issue":"2","key":"10.1016\/j.cpc.2026.110291_bib0029","doi-asserted-by":"crossref","first-page":"153","DOI":"10.1016\/0022-3093(79)90033-4","article-title":"Topology of covalent non-crystalline solids i: short-range order in chalcogenide alloys","volume":"34","author":"Phillips","year":"1979","journal-title":"J. Non Cryst. Solids"},{"issue":"7825","key":"10.1016\/j.cpc.2026.110291_bib0030","doi-asserted-by":"crossref","first-page":"357","DOI":"10.1038\/s41586-020-2649-2","article-title":"Array programming with NumPy","volume":"585","author":"Harris","year":"2020","journal-title":"Nature"},{"key":"10.1016\/j.cpc.2026.110291_bib0031","series-title":"Proceedings of the Second Workshop on the LLVM Compiler Infrastructure in HPC","first-page":"1","article-title":"Numba: a LLVM-based python JIT compiler","author":"Lam","year":"2015"},{"key":"10.1016\/j.cpc.2026.110291_bib0032","unstructured":"J. Perradin, Nexus-CAT: a Numba-accelerated development version with dedicated kernels for neighbor search and cluster build\/search, 2025, Version 0.1.1, in development, https:\/\/github.com\/jperradin\/nexus."},{"key":"10.1016\/j.cpc.2026.110291_bib0033","unstructured":"G. Rodola, giampaolo\/psutil, 2025. https:\/\/github.com\/giampaolo\/psutil."},{"issue":"37","key":"10.1016\/j.cpc.2026.110291_bib0034","doi-asserted-by":"crossref","first-page":"1277","DOI":"10.21105\/joss.01277","article-title":"\u2018Tqdm\u2018: a fast, extensible progress meter for python and CLI","volume":"4","author":"Costa-Luis","year":"2019","journal-title":"J. Open Source Softw."},{"key":"10.1016\/j.cpc.2026.110291_bib0035","unstructured":"J. Hartley, tartley\/colorama, 2025. https:\/\/github.com\/tartley\/colorama."},{"issue":"1","key":"10.1016\/j.cpc.2026.110291_bib0036","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/0370-1573(79)90060-7","article-title":"Scaling theory of percolation clusters","volume":"54","author":"Stauffer","year":"1979","journal-title":"Phys. Rep."},{"issue":"1","key":"10.1016\/j.cpc.2026.110291_bib0037","doi-asserted-by":"crossref","first-page":"113","DOI":"10.1007\/s11467-013-0403-z","article-title":"Simultaneous analysis of three-dimensional percolation models","volume":"9","author":"Xu","year":"2014","journal-title":"Front. Phys."},{"issue":"11","key":"10.1016\/j.cpc.2026.110291_bib0038","doi-asserted-by":"crossref","DOI":"10.1103\/PhysRevD.103.116024","article-title":"Five-loop renormalization of \u03d53 theory with applications to the Lee-Yang edge singularity and percolation theory","volume":"103","author":"Borinsky","year":"2021","journal-title":"Phys. Rev. D"},{"issue":"1","key":"10.1016\/j.cpc.2026.110291_bib0039","doi-asserted-by":"crossref","first-page":"230","DOI":"10.1103\/PhysRevE.57.230","article-title":"Precise determination of the bond percolation thresholds and finite-size scaling corrections for the sc, fcc, and bcc lattices","volume":"57","author":"Lorenz","year":"1998","journal-title":"Phys. Rev. E"},{"key":"10.1016\/j.cpc.2026.110291_bib0040","article-title":"Monte Carlo Simulation in Statistical Physics: An Introduction","volume":"Vol. 0","author":"Binder","year":"2010"},{"key":"10.1016\/j.cpc.2026.110291_bib0041","unstructured":"A. Sorge, pyfssa: algorithmic finite-size scaling analysis in Python, 2015, (Zenodo). 10.5281\/zenodo.35293."},{"issue":"2","key":"10.1016\/j.cpc.2026.110291_bib0042","doi-asserted-by":"crossref","first-page":"435","DOI":"10.1143\/JPSJ.62.435","article-title":"Critical behavior of the three-dimensional \u202f\u00b1\u202fj model in a magnetic field","volume":"62","author":"Kawashima","year":"1993","journal-title":"J. Phys. Soc. Jpn."},{"key":"10.1016\/j.cpc.2026.110291_bib0043","unstructured":"H. Dembinski, P. Ongmongkolkul, et al., iminuit: a Python interface to the MINUIT2 C++ package, 2020, https:\/\/github.com\/scikit-hep\/iminuit."},{"key":"10.1016\/j.cpc.2026.110291_bib0044","series-title":"The Role of Nonbonded Forces in Crystals","volume":"Vol. 1","author":"O\u2019Keeffe","year":"1981"},{"issue":"1","key":"10.1016\/j.cpc.2026.110291_bib0045","doi-asserted-by":"crossref","first-page":"4789","DOI":"10.1038\/s41467-018-07265-z","article-title":"Metastable silica high pressure polymorphs as structural proxies of deep earth silicate melts","volume":"9","author":"Bykova","year":"2018","journal-title":"Nat. Commun."},{"key":"10.1016\/j.cpc.2026.110291_bib0046","doi-asserted-by":"crossref","unstructured":"V.L. Deringer, N. Bernstein, G. Cs\u00e1nyi, C.B. Mahmoud, M. Ceriotti, M. Wilson, D.A. Drabold, S.R. Elliott, Research data for \u201cOrigins of structural and electronic transitions in disordered silicon\u201d, 2021. https:\/\/zenodo.org\/records\/4174139.","DOI":"10.1038\/s41586-020-03072-z"},{"key":"10.1016\/j.cpc.2026.110291_bib0047","unstructured":"J. Perradin, S. Ispas, A. Hasmy, B. Hehlen, Percolation site datasets for Nexus-CAT validation and performance benchmark, 2026, (Zenodo). 10.5281\/zenodo.20487537."}],"container-title":["Computer Physics Communications"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0010465526002730?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0010465526002730?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2026,7,9]],"date-time":"2026-07-09T19:57:53Z","timestamp":1783627073000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0010465526002730"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,10]]},"references-count":47,"alternative-id":["S0010465526002730"],"URL":"https:\/\/doi.org\/10.1016\/j.cpc.2026.110291","relation":{},"ISSN":["0010-4655"],"issn-type":[{"value":"0010-4655","type":"print"}],"subject":[],"published":{"date-parts":[[2026,10]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Nexus-CAT: A computational framework to define long-range structural descriptors in glassy materials from percolation theory","name":"articletitle","label":"Article Title"},{"value":"Computer Physics Communications","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.cpc.2026.110291","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2026 Elsevier B.V. All rights are reserved, including those for text and data mining, AI training, and similar technologies.","name":"copyright","label":"Copyright"}],"article-number":"110291"}}