{"id":"https://openalex.org/W4415599437","doi":"https://doi.org/10.1088/2632-2153/ae1807","title":"An atomic cluster expansion potential for twisted multilayer graphene","display_name":"An atomic cluster expansion potential for twisted multilayer graphene","publication_year":2025,"publication_date":"2025-10-27","ids":{"openalex":"https://openalex.org/W4415599437","doi":"https://doi.org/10.1088/2632-2153/ae1807"},"language":"en","primary_location":{"id":"doi:10.1088/2632-2153/ae1807","is_oa":true,"landing_page_url":"https://doi.org/10.1088/2632-2153/ae1807","pdf_url":null,"source":{"id":"https://openalex.org/S4210200687","display_name":"Machine Learning Science and Technology","issn_l":"2632-2153","issn":["2632-2153"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320083","host_organization_name":"IOP Publishing","host_organization_lineage":["https://openalex.org/P4310320083","https://openalex.org/P4310311669"],"host_organization_lineage_names":["IOP Publishing","Institute of Physics"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Machine Learning: Science and Technology","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://doi.org/10.1088/2632-2153/ae1807","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5049158836","display_name":"Yangshuai Wang","orcid":"https://orcid.org/0000-0003-0226-2613"},"institutions":[{"id":"https://openalex.org/I165932596","display_name":"National University of Singapore","ror":"https://ror.org/01tgyzw49","country_code":"SG","type":"education","lineage":["https://openalex.org/I165932596"]}],"countries":["SG"],"is_corresponding":false,"raw_author_name":"Yangshuai Wang","raw_affiliation_strings":["Department of Mathematics, National University of Singapore, 10 Lower Kent Ridge Road, Singapore 119076, Singapore"],"raw_orcid":"https://orcid.org/0000-0003-0226-2613","affiliations":[{"raw_affiliation_string":"Department of Mathematics, National University of Singapore, 10 Lower Kent Ridge Road, Singapore 119076, Singapore","institution_ids":["https://openalex.org/I165932596"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5024254342","display_name":"Drake Clark","orcid":"https://orcid.org/0009-0002-4081-4087"},"institutions":[{"id":"https://openalex.org/I130238516","display_name":"University of Minnesota","ror":"https://ror.org/017zqws13","country_code":"US","type":"education","lineage":["https://openalex.org/I130238516"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Drake Clark","raw_affiliation_strings":["School of Mathematics, University of Minnesota, Minneapolis, MN 55455, United States of America"],"raw_orcid":"https://orcid.org/0009-0002-4081-4087","affiliations":[{"raw_affiliation_string":"School of Mathematics, University of Minnesota, Minneapolis, MN 55455, United States of America","institution_ids":["https://openalex.org/I130238516"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5065188032","display_name":"Sambit Das","orcid":"https://orcid.org/0000-0002-6356-6015"},"institutions":[{"id":"https://openalex.org/I27837315","display_name":"University of Michigan","ror":"https://ror.org/00jmfr291","country_code":"US","type":"education","lineage":["https://openalex.org/I27837315"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Sambit Das","raw_affiliation_strings":["Department of Mechanical Engineering, University of Michigan, Ann Arbor, MI 48109, United States of America"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Mechanical Engineering, University of Michigan, Ann Arbor, MI 48109, United States of America","institution_ids":["https://openalex.org/I27837315"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5023902857","display_name":"Ziyan Zhu","orcid":"https://orcid.org/0000-0003-4463-5828"},"institutions":[{"id":"https://openalex.org/I103531236","display_name":"Boston College","ror":"https://ror.org/02n2fzt79","country_code":"US","type":"education","lineage":["https://openalex.org/I103531236"]},{"id":"https://openalex.org/I2801935854","display_name":"SLAC National Accelerator Laboratory","ror":"https://ror.org/05gzmn429","country_code":"US","type":"facility","lineage":["https://openalex.org/I1330989302","https://openalex.org/I2801935854","https://openalex.org/I39565521","https://openalex.org/I97018004"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Ziyan Zhu","raw_affiliation_strings":["Department of Physics, Boston College, Chestnut Hill, MA 02467, United States of America","Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA 94025, United States of America"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Physics, Boston College, Chestnut Hill, MA 02467, United States of America","institution_ids":["https://openalex.org/I103531236"]},{"raw_affiliation_string":"Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA 94025, United States of America","institution_ids":["https://openalex.org/I2801935854"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5027811873","display_name":"Daniel Massatt","orcid":"https://orcid.org/0000-0003-0526-4892"},"institutions":[{"id":"https://openalex.org/I121820613","display_name":"Louisiana State University","ror":"https://ror.org/05ect4e57","country_code":"US","type":"education","lineage":["https://openalex.org/I121820613"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Daniel Massatt","raw_affiliation_strings":["Department of Mathematics, Louisiana State University, Baton Rouge, LA 70803, United States of America"],"raw_orcid":"https://orcid.org/0000-0003-0526-4892","affiliations":[{"raw_affiliation_string":"Department of Mathematics, Louisiana State University, Baton Rouge, LA 70803, United States of America","institution_ids":["https://openalex.org/I121820613"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5006888181","display_name":"Vikram Gavini","orcid":"https://orcid.org/0000-0002-9451-2300"},"institutions":[{"id":"https://openalex.org/I27837315","display_name":"University of Michigan","ror":"https://ror.org/00jmfr291","country_code":"US","type":"education","lineage":["https://openalex.org/I27837315"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Vikram Gavini","raw_affiliation_strings":["Department of Mechanical Engineering, Department of Materials Science & Engineering, University of Michigan, Ann Arbor, MI 48109, United States of America"],"raw_orcid":"https://orcid.org/0000-0002-9451-2300","affiliations":[{"raw_affiliation_string":"Department of Mechanical Engineering, Department of Materials Science & Engineering, University of Michigan, Ann Arbor, MI 48109, United States of America","institution_ids":["https://openalex.org/I27837315"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5036018970","display_name":"Mitchell Luskin","orcid":"https://orcid.org/0000-0003-1981-199X"},"institutions":[{"id":"https://openalex.org/I130238516","display_name":"University of Minnesota","ror":"https://ror.org/017zqws13","country_code":"US","type":"education","lineage":["https://openalex.org/I130238516"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Mitchell Luskin","raw_affiliation_strings":["School of Mathematics, University of Minnesota, Minneapolis, MN 55455, United States of America"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Mathematics, University of Minnesota, Minneapolis, MN 55455, United States of America","institution_ids":["https://openalex.org/I130238516"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5061841111","display_name":"Christoph Ortner","orcid":"https://orcid.org/0000-0003-1498-8120"},"institutions":[{"id":"https://openalex.org/I141945490","display_name":"University of British Columbia","ror":"https://ror.org/03rmrcq20","country_code":"CA","type":"education","lineage":["https://openalex.org/I141945490"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"Christoph Ortner","raw_affiliation_strings":["Department of Mathematics, University of British Columbia, 1984 Mathematics Road, Vancouver, BC V6T 1Z2, Canada"],"raw_orcid":"https://orcid.org/0000-0003-1498-8120","affiliations":[{"raw_affiliation_string":"Department of Mathematics, University of British Columbia, 1984 Mathematics Road, Vancouver, BC V6T 1Z2, Canada","institution_ids":["https://openalex.org/I141945490"]}]}],"institutions":[],"countries_distinct_count":3,"institutions_distinct_count":8,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":1600,"currency":"GBP","value_usd":1962},"apc_paid":{"value":1600,"currency":"GBP","value_usd":1962},"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.19470139,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"6","issue":"4","first_page":"045040","last_page":"045040"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.54830002784729,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.54830002784729,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10083","display_name":"Graphene research and applications","score":0.13420000672340393,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10857","display_name":"Advanced Electron Microscopy Techniques and Applications","score":0.04969999939203262,"subfield":{"id":"https://openalex.org/subfields/1315","display_name":"Structural Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/robustness","display_name":"Robustness (evolution)","score":0.6891999840736389},{"id":"https://openalex.org/keywords/cluster","display_name":"Cluster (spacecraft)","score":0.6151999831199646},{"id":"https://openalex.org/keywords/twist","display_name":"Twist","score":0.5906000137329102},{"id":"https://openalex.org/keywords/interatomic-potential","display_name":"Interatomic potential","score":0.5537999868392944},{"id":"https://openalex.org/keywords/graphene","display_name":"Graphene","score":0.5382999777793884},{"id":"https://openalex.org/keywords/density-functional-theory","display_name":"Density functional theory","score":0.5234000086784363},{"id":"https://openalex.org/keywords/cluster-expansion","display_name":"Cluster expansion","score":0.5181000232696533},{"id":"https://openalex.org/keywords/work","display_name":"Work (physics)","score":0.4496000111103058},{"id":"https://openalex.org/keywords/supercell","display_name":"Supercell","score":0.42640000581741333}],"concepts":[{"id":"https://openalex.org/C63479239","wikidata":"https://www.wikidata.org/wiki/Q7353546","display_name":"Robustness (evolution)","level":3,"score":0.6891999840736389},{"id":"https://openalex.org/C164866538","wikidata":"https://www.wikidata.org/wiki/Q367351","display_name":"Cluster (spacecraft)","level":2,"score":0.6151999831199646},{"id":"https://openalex.org/C2776196297","wikidata":"https://www.wikidata.org/wiki/Q17138781","display_name":"Twist","level":2,"score":0.5906000137329102},{"id":"https://openalex.org/C2776372370","wikidata":"https://www.wikidata.org/wiki/Q3399989","display_name":"Interatomic potential","level":3,"score":0.5537999868392944},{"id":"https://openalex.org/C30080830","wikidata":"https://www.wikidata.org/wiki/Q169917","display_name":"Graphene","level":2,"score":0.5382999777793884},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.5234000086784363},{"id":"https://openalex.org/C2778999785","wikidata":"https://www.wikidata.org/wiki/Q5136697","display_name":"Cluster expansion","level":2,"score":0.5181000232696533},{"id":"https://openalex.org/C18762648","wikidata":"https://www.wikidata.org/wiki/Q42213","display_name":"Work (physics)","level":2,"score":0.4496000111103058},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.43160000443458557},{"id":"https://openalex.org/C136498428","wikidata":"https://www.wikidata.org/wiki/Q747894","display_name":"Supercell","level":3,"score":0.42640000581741333},{"id":"https://openalex.org/C66851368","wikidata":"https://www.wikidata.org/wiki/Q1784922","display_name":"Potential method","level":2,"score":0.40790000557899475},{"id":"https://openalex.org/C84114770","wikidata":"https://www.wikidata.org/wiki/Q46344","display_name":"Quantum","level":2,"score":0.3880000114440918},{"id":"https://openalex.org/C112675119","wikidata":"https://www.wikidata.org/wiki/Q2992284","display_name":"Periodic boundary conditions","level":3,"score":0.3824999928474426},{"id":"https://openalex.org/C204323151","wikidata":"https://www.wikidata.org/wiki/Q905424","display_name":"Range (aeronautics)","level":2,"score":0.36910000443458557},{"id":"https://openalex.org/C19637589","wikidata":"https://www.wikidata.org/wiki/Q1117940","display_name":"Coupled cluster","level":3,"score":0.35199999809265137},{"id":"https://openalex.org/C62354387","wikidata":"https://www.wikidata.org/wiki/Q875399","display_name":"Boundary (topology)","level":2,"score":0.3481999933719635},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.3443000018596649},{"id":"https://openalex.org/C182310444","wikidata":"https://www.wikidata.org/wiki/Q1332643","display_name":"Boundary value problem","level":2,"score":0.33149999380111694},{"id":"https://openalex.org/C192271897","wikidata":"https://www.wikidata.org/wiki/Q198438","display_name":"Zigzag","level":2,"score":0.31200000643730164},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.3041999936103821},{"id":"https://openalex.org/C73555534","wikidata":"https://www.wikidata.org/wiki/Q622825","display_name":"Cluster analysis","level":2,"score":0.30390000343322754},{"id":"https://openalex.org/C16910744","wikidata":"https://www.wikidata.org/wiki/Q7705759","display_name":"Test data","level":2,"score":0.2937999963760376},{"id":"https://openalex.org/C124657808","wikidata":"https://www.wikidata.org/wiki/Q1133068","display_name":"Quantum dot","level":2,"score":0.2937999963760376},{"id":"https://openalex.org/C45374587","wikidata":"https://www.wikidata.org/wiki/Q12525525","display_name":"Computation","level":2,"score":0.2824000120162964},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.2759000062942505},{"id":"https://openalex.org/C30475298","wikidata":"https://www.wikidata.org/wiki/Q909554","display_name":"Computational physics","level":1,"score":0.2644999921321869},{"id":"https://openalex.org/C58312451","wikidata":"https://www.wikidata.org/wiki/Q4817200","display_name":"Atom (system on chip)","level":2,"score":0.25949999690055847},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.2590999901294708},{"id":"https://openalex.org/C111030470","wikidata":"https://www.wikidata.org/wiki/Q1430460","display_name":"Curse of dimensionality","level":2,"score":0.2574000060558319},{"id":"https://openalex.org/C183971685","wikidata":"https://www.wikidata.org/wiki/Q547605","display_name":"Ab initio quantum chemistry methods","level":3,"score":0.2535000145435333}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1088/2632-2153/ae1807","is_oa":true,"landing_page_url":"https://doi.org/10.1088/2632-2153/ae1807","pdf_url":null,"source":{"id":"https://openalex.org/S4210200687","display_name":"Machine Learning Science and Technology","issn_l":"2632-2153","issn":["2632-2153"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320083","host_organization_name":"IOP Publishing","host_organization_lineage":["https://openalex.org/P4310320083","https://openalex.org/P4310311669"],"host_organization_lineage_names":["IOP Publishing","Institute of Physics"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Machine Learning: Science and Technology","raw_type":"journal-article"},{"id":"pmh:oai:doaj.org/article:8b52171caf03406ab2a00d37803eb4d6","is_oa":true,"landing_page_url":"https://doaj.org/article/8b52171caf03406ab2a00d37803eb4d6","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Machine Learning: Science and Technology, Vol 6, Iss 4, p 045040 (2025)","raw_type":"article"}],"best_oa_location":{"id":"doi:10.1088/2632-2153/ae1807","is_oa":true,"landing_page_url":"https://doi.org/10.1088/2632-2153/ae1807","pdf_url":null,"source":{"id":"https://openalex.org/S4210200687","display_name":"Machine Learning Science and Technology","issn_l":"2632-2153","issn":["2632-2153"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320083","host_organization_name":"IOP Publishing","host_organization_lineage":["https://openalex.org/P4310320083","https://openalex.org/P4310311669"],"host_organization_lineage_names":["IOP Publishing","Institute of Physics"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Machine Learning: Science and Technology","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320332169","display_name":"Directorate for Computer and Information Science and Engineering","ror":"https://ror.org/025kzpk63"},{"id":"https://openalex.org/F4320334593","display_name":"Natural Sciences and Engineering Research Council of Canada","ror":"https://ror.org/01h531d29"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":72,"referenced_works":["https://openalex.org/W26088913","https://openalex.org/W2010413152","https://openalex.org/W2025444507","https://openalex.org/W2030330123","https://openalex.org/W2030584826","https://openalex.org/W2051434435","https://openalex.org/W2069483681","https://openalex.org/W2070126925","https://openalex.org/W2080408699","https://openalex.org/W2083415705","https://openalex.org/W2092157292","https://openalex.org/W2108102346","https://openalex.org/W2112334023","https://openalex.org/W2116808829","https://openalex.org/W2127169435","https://openalex.org/W2131190865","https://openalex.org/W2152783510","https://openalex.org/W2163980958","https://openalex.org/W2197007850","https://openalex.org/W2327574145","https://openalex.org/W2507995705","https://openalex.org/W2516802786","https://openalex.org/W2547662584","https://openalex.org/W2601081289","https://openalex.org/W2626632957","https://openalex.org/W2775828349","https://openalex.org/W2793369479","https://openalex.org/W2803667181","https://openalex.org/W2810387718","https://openalex.org/W2888688700","https://openalex.org/W2895694726","https://openalex.org/W2910436199","https://openalex.org/W2910857709","https://openalex.org/W2945541091","https://openalex.org/W2950902599","https://openalex.org/W2966946570","https://openalex.org/W2967788151","https://openalex.org/W2971894235","https://openalex.org/W2982006073","https://openalex.org/W2985974283","https://openalex.org/W3000012212","https://openalex.org/W3010382286","https://openalex.org/W3013034951","https://openalex.org/W3022916199","https://openalex.org/W3044111935","https://openalex.org/W3044205763","https://openalex.org/W3081285874","https://openalex.org/W3109286531","https://openalex.org/W3120951562","https://openalex.org/W3133767177","https://openalex.org/W3176386153","https://openalex.org/W3186459065","https://openalex.org/W3189164715","https://openalex.org/W4207013141","https://openalex.org/W4221076086","https://openalex.org/W4282943148","https://openalex.org/W4289712286","https://openalex.org/W4304002566","https://openalex.org/W4309022565","https://openalex.org/W4310836146","https://openalex.org/W4365504247","https://openalex.org/W4366406626","https://openalex.org/W4366483814","https://openalex.org/W4366986023","https://openalex.org/W4380625319","https://openalex.org/W4381716411","https://openalex.org/W4385948524","https://openalex.org/W4386067762","https://openalex.org/W4386714071","https://openalex.org/W4387865192","https://openalex.org/W4387866108","https://openalex.org/W4401284655"],"related_works":[],"abstract_inverted_index":{"Abstract":[0],"Twisted":[1],"multilayer":[2,113],"graphene,":[3],"characterized":[4],"by":[5],"its":[6],"moir\u00e9":[7],"patterns":[8],"arising":[9],"from":[10],"inter-layer":[11],"rotational":[12],"misalignment,":[13],"serves":[14],"as":[15],"a":[16,29,39,123],"rich":[17],"platform":[18],"for":[19,47,77,110,118],"exploring":[20],"quantum":[21],"phenomena.":[22],"Machine":[23],"learning":[24,101],"interatomic":[25],"potentials":[26],"(MLIPs)":[27],"are":[28],"promising":[30],"approach":[31],"to":[32,41,58],"model":[33],"such":[34],"systems.":[35],"Our":[36],"work":[37],"develops":[38],"method":[40],"generate":[42,70],"training":[43],"and":[44,63,82,88,115,120],"test":[45,116],"datasets":[46],"fitting":[48],"MLIPs":[49],"that":[50],"capture":[51],"all":[52],"possible":[53],"misalignments":[54],"but":[55],"remain":[56],"small-scale":[57],"facilitate":[59],"efficient":[60],"data":[61],"generation":[62],"parameter":[64],"estimation.":[65],"To":[66],"achieve":[67],"this,":[68],"we":[69,103],"configurations":[71],"with":[72,98],"periodic":[73],"boundary":[74],"conditions":[75],"suitable":[76],"density":[78],"functional":[79],"theory":[80],"calculations,":[81],"then":[83],"introduce":[84],"an":[85,99,105],"internal":[86],"twist":[87],"shift":[89],"within":[90],"those":[91],"supercell":[92],"structures.":[93],"Using":[94],"this":[95],"technique,":[96],"supplemented":[97],"active":[100],"workflow,":[102],"fit":[104],"Atomic":[106],"Cluster":[107],"Expansion":[108],"potential":[109],"simulating":[111],"twisted":[112],"graphene":[114],"it":[117],"accuracy":[119],"robustness":[121],"on":[122],"range":[124],"of":[125],"simulation":[126],"tasks.":[127]},"counts_by_year":[],"updated_date":"2026-06-14T07:44:22.658603","created_date":"2025-10-28T00:00:00"}
