{"id":"https://openalex.org/W7204843175","doi":"https://doi.org/10.48550/arxiv.2608.27820","title":"Resolving Spin-Phonon Relaxation Pathways in Molecular Qubits via Regularized Regression","display_name":"Resolving Spin-Phonon Relaxation Pathways in Molecular Qubits via Regularized Regression","publication_year":2026,"publication_date":"2026-08-28","ids":{"openalex":"https://openalex.org/W7204843175","doi":"https://doi.org/10.48550/arxiv.2608.27820"},"language":"en","primary_location":{"id":"pmh:oai:arXiv.org:2608.27820","doi":null,"is_oa":true,"landing_page_url":"https://arxiv.org/abs/2608.27820","pdf_url":"https://arxiv.org/pdf/2608.27820","source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"text"},"volume":null,"type":"preprint","is_traditional":true,"indexed_in":["arxiv","datacite"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://arxiv.org/pdf/2608.27820","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5072188872","display_name":"Sayan Banerjee","orcid":"https://orcid.org/0000-0002-8586-9236","observed_orcids":["https://orcid.org/0000-0002-8586-9236"]},"institutions":[{"id":"https://openalex.org/I75027704","display_name":"University of Tennessee at Knoxville","ror":"https://ror.org/020f3ap87","country_code":"US","type":"education","lineage":["https://openalex.org/I75027704"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Banerjee, Sayan","raw_affiliation_strings":["Department of Chemistry , University of Tennessee , Knoxville , Tennessee 37996 , United States; orcid.org","Department of Chemistry , University of Tennessee-Knoxville , Knoxville , TN 37923 , USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry , University of Tennessee , Knoxville , Tennessee 37996 , United States; orcid.org","institution_ids":["https://openalex.org/I75027704"]},{"raw_affiliation_string":"Department of Chemistry , University of Tennessee-Knoxville , Knoxville , TN 37923 , USA","institution_ids":["https://openalex.org/I75027704"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5072188872"],"corresponding_institution_ids":["https://openalex.org/I75027704"],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":true,"cited_by_count":0,"citation_normalized_percentile":null,"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10612","display_name":"Magnetism in coordination complexes","score":0.9829000234603882,"subfield":{"id":"https://openalex.org/subfields/2504","display_name":"Electronic, Optical and Magnetic Materials"},"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/T10612","display_name":"Magnetism in coordination complexes","score":0.9829000234603882,"subfield":{"id":"https://openalex.org/subfields/2504","display_name":"Electronic, Optical and Magnetic Materials"},"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/T10002","display_name":"Advanced Chemical Physics Studies","score":0.0020000000949949026,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10382","display_name":"Quantum and electron transport phenomena","score":0.0015999999595806003,"subfield":{"id":"https://openalex.org/subfields/3104","display_name":"Condensed Matter Physics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/spin-phonon-relaxation","display_name":"spin-phonon relaxation","score":0.8830000162124634},{"id":"https://openalex.org/keywords/molecular-qubits","display_name":"molecular qubits","score":0.9639999866485596},{"id":"https://openalex.org/keywords/spin-lattice-relaxation","display_name":"spin-lattice relaxation","score":0.8420000076293945},{"id":"https://openalex.org/keywords/penalized-regression","display_name":"penalized regression","score":0.7360000014305115},{"id":"https://openalex.org/keywords/power-spectrum","display_name":"power spectrum","score":0.6240000128746033},{"id":"https://openalex.org/keywords/mode-coupling","display_name":"mode coupling","score":0.8529999852180481},{"id":"https://openalex.org/keywords/anharmonicity","display_name":"anharmonicity","score":0.7710000276565552},{"id":"https://openalex.org/keywords/coherence-time","display_name":"coherence time","score":0.625},{"id":"https://openalex.org/keywords/vibrational-modes","display_name":"vibrational modes","score":0.6389999985694885},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"molecular dynamics","score":0.5640000104904175}],"concepts":[{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.7179999947547913},{"id":"https://openalex.org/C2776029896","wikidata":"https://www.wikidata.org/wiki/Q3935810","display_name":"Relaxation (psychology)","level":2,"score":0.5623999834060669},{"id":"https://openalex.org/C5297727","wikidata":"https://www.wikidata.org/wiki/Q786970","display_name":"Autocorrelation","level":2,"score":0.557699978351593},{"id":"https://openalex.org/C143724316","wikidata":"https://www.wikidata.org/wiki/Q312468","display_name":"Series (stratigraphy)","level":2,"score":0.5464000105857849},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.5407000184059143},{"id":"https://openalex.org/C147724859","wikidata":"https://www.wikidata.org/wiki/Q545228","display_name":"Anharmonicity","level":2,"score":0.5318999886512756},{"id":"https://openalex.org/C2781181686","wikidata":"https://www.wikidata.org/wiki/Q4226068","display_name":"Coherence (philosophical gambling strategy)","level":2,"score":0.5253999829292297},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.42179998755455017},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.4178999960422516},{"id":"https://openalex.org/C151201525","wikidata":"https://www.wikidata.org/wiki/Q177239","display_name":"Limit (mathematics)","level":2,"score":0.3901999890804291},{"id":"https://openalex.org/C203087015","wikidata":"https://www.wikidata.org/wiki/Q378201","display_name":"Qubit","level":3,"score":0.37119999527931213},{"id":"https://openalex.org/C205203396","wikidata":"https://www.wikidata.org/wiki/Q612143","display_name":"Bilinear interpolation","level":2,"score":0.33640000224113464},{"id":"https://openalex.org/C131584629","wikidata":"https://www.wikidata.org/wiki/Q4308705","display_name":"Coupling (piping)","level":2,"score":0.3319000005722046},{"id":"https://openalex.org/C195065555","wikidata":"https://www.wikidata.org/wiki/Q214881","display_name":"Curvature","level":2,"score":0.32690000534057617},{"id":"https://openalex.org/C40934718","wikidata":"https://www.wikidata.org/wiki/Q190070","display_name":"Harmonic oscillator","level":2,"score":0.3109999895095825},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.2971999943256378},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.2833000123500824},{"id":"https://openalex.org/C24123453","wikidata":"https://www.wikidata.org/wiki/Q900121","display_name":"Molecular vibration","level":3,"score":0.27630001306533813},{"id":"https://openalex.org/C127934551","wikidata":"https://www.wikidata.org/wiki/Q1148098","display_name":"Harmonic","level":2,"score":0.27549999952316284},{"id":"https://openalex.org/C151406439","wikidata":"https://www.wikidata.org/wiki/Q186588","display_name":"Time series","level":2,"score":0.26159998774528503},{"id":"https://openalex.org/C48921125","wikidata":"https://www.wikidata.org/wiki/Q10861030","display_name":"Linear regression","level":2,"score":0.257099986076355},{"id":"https://openalex.org/C32758168","wikidata":"https://www.wikidata.org/wiki/Q900488","display_name":"Normal mode","level":3,"score":0.2556000053882599},{"id":"https://openalex.org/C139676723","wikidata":"https://www.wikidata.org/wiki/Q1193832","display_name":"Sign (mathematics)","level":2,"score":0.2556000053882599}],"mesh":[],"locations_count":2,"locations":[{"id":"pmh:oai:arXiv.org:2608.27820","doi":null,"is_oa":true,"landing_page_url":"https://arxiv.org/abs/2608.27820","pdf_url":"https://arxiv.org/pdf/2608.27820","source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"text"},{"id":"doi:10.48550/arxiv.2608.27820","doi":"https://doi.org/10.48550/arxiv.2608.27820","is_oa":true,"landing_page_url":"https://doi.org/10.48550/arxiv.2608.27820","pdf_url":null,"source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Preprint"}],"best_oa_location":{"id":"pmh:oai:arXiv.org:2608.27820","doi":null,"is_oa":true,"landing_page_url":"https://arxiv.org/abs/2608.27820","pdf_url":"https://arxiv.org/pdf/2608.27820","source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"text"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W7204843175.pdf","grobid_xml":"https://content.openalex.org/works/W7204843175.grobid-xml"},"referenced_works_count":1,"referenced_works":["https://openalex.org/W3103433146"],"related_works":["https://openalex.org/W4414886865","https://openalex.org/W4417116466","https://openalex.org/W2938693039","https://openalex.org/W2963468089","https://openalex.org/W4405892825","https://openalex.org/W4395049345","https://openalex.org/W4405273065","https://openalex.org/W7160650011","https://openalex.org/W4360826442","https://openalex.org/W2560497974"],"abstract_inverted_index":{"Designing":[0],"molecular":[1,17,72,121,145,179],"qubits":[2],"requires":[3],"controlling":[4],"the":[5,12,36,74,85,88,104,135,156],"spin-lattice":[6],"relaxation":[7,30,56,81],"pathways":[8,57],"that":[9,53],"fundamentally":[10],"limit":[11],"coherence":[13],"time.":[14],"For":[15],"spin-1/2":[16,71],"qubits,":[18,73],"significant":[19],"discrepancies":[20],"remain":[21],"between":[22,110],"theoretical":[23],"predictions":[24],"and":[25,83,100,114,125,152,166,176],"experimental":[26,78],"measurements":[27],"of":[28,38],"spin-phonon":[29,55,168],"pathways,":[31],"with":[32,50],"theory":[33],"often":[34],"overestimating":[35],"role":[37],"low-frequency":[39],"vibrational":[40],"modes.":[41],"Here,":[42],"we":[43],"present":[44],"an":[45,59],"alternative":[46],"first-principles":[47],"approach":[48],"augmented":[49],"regularized":[51],"regression":[52,109],"identifies":[54],"in":[58,80,87],"automated":[60],"fashion":[61],"without":[62],"ad":[63],"hoc":[64],"mode":[65,127],"selection.":[66],"Applied":[67],"to":[68,130],"Cu":[69],"porphyrins":[70],"method":[75,136],"successfully":[76],"reproduces":[77],"trends":[79],"times":[82],"predicts":[84],"curvature":[86],"relaxation-vs-temperature":[89],"profile.":[90],"The":[91],"g-tensor":[92,111,132],"time":[93,112,117],"series":[94,113,118],"reveal":[95],"distinct":[96],"system-specific":[97],"autocorrelation":[98],"functions":[99],"spectral-density":[101],"profiles":[102],"despite":[103],"qubits'":[105],"structural":[106],"similarity.":[107],"Further,":[108],"mode-projected":[115],"vibrational-amplitude":[116],"obtained":[119],"from":[120,144],"dynamics":[122],"yields":[123],"linear":[124],"bilinear":[126],"coupling":[128],"contributions":[129],"each":[131],"component.":[133],"Because":[134],"is":[137],"based":[138],"on":[139],"atomic":[140],"displacements":[141],"sampled":[142],"directly":[143],"dynamics,":[146],"it":[147],"naturally":[148],"incorporates":[149],"anharmonic":[150],"effects":[151],"does":[153],"not":[154],"require":[155],"harmonic":[157],"approximation.":[158],"This":[159],"framework":[160],"puts":[161],"forward":[162],"a":[163,171],"regression-driven,":[164],"mode-resolved,":[165],"coupling-order-separated":[167],"analysis":[169],"as":[170],"general":[172],"strategy":[173],"for":[174],"predicting":[175],"engineering":[177],"longer-lived":[178],"qubits.":[180]},"counts_by_year":[],"updated_date":"2026-11-07T11:25:07.637180","created_date":"2026-09-01T00:00:00"}
