{"id":"https://openalex.org/W4399175849","doi":"https://doi.org/10.1021/acs.jcim.4c00462","title":"chARpack: The Chemistry Augmented Reality Package","display_name":"chARpack: The Chemistry Augmented Reality Package","publication_year":2024,"publication_date":"2024-05-30","ids":{"openalex":"https://openalex.org/W4399175849","doi":"https://doi.org/10.1021/acs.jcim.4c00462","pmid":"https://pubmed.ncbi.nlm.nih.gov/38814047"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.4c00462","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.4c00462","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5011320681","display_name":"Tobias Rau","orcid":"https://orcid.org/0000-0002-3310-9163"},"institutions":[{"id":"https://openalex.org/I100066346","display_name":"University of Stuttgart","ror":"https://ror.org/04vnq7t77","country_code":"DE","type":"education","lineage":["https://openalex.org/I100066346"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Tobias Rau","raw_affiliation_strings":["Institute for Theoretical Chemistry, University of Stuttgart, Stuttgart 70569, Germany","Institute for Visualization and Interactive Systems, University of Stuttgart, Stuttgart 70569, Germany"],"raw_orcid":"https://orcid.org/0000-0002-3310-9163","affiliations":[{"raw_affiliation_string":"Institute for Theoretical Chemistry, University of Stuttgart, Stuttgart 70569, Germany","institution_ids":["https://openalex.org/I100066346"]},{"raw_affiliation_string":"Institute for Visualization and Interactive Systems, University of Stuttgart, Stuttgart 70569, Germany","institution_ids":["https://openalex.org/I100066346"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5037110552","display_name":"Michael Sedlmair","orcid":"https://orcid.org/0000-0001-7048-9292"},"institutions":[{"id":"https://openalex.org/I100066346","display_name":"University of Stuttgart","ror":"https://ror.org/04vnq7t77","country_code":"DE","type":"education","lineage":["https://openalex.org/I100066346"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Michael Sedlmair","raw_affiliation_strings":["Institute for Visualization and Interactive Systems, University of Stuttgart, Stuttgart 70569, Germany"],"raw_orcid":"https://orcid.org/0000-0001-7048-9292","affiliations":[{"raw_affiliation_string":"Institute for Visualization and Interactive Systems, University of Stuttgart, Stuttgart 70569, Germany","institution_ids":["https://openalex.org/I100066346"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5037456696","display_name":"Andreas K\u00f6hn","orcid":"https://orcid.org/0000-0002-0844-842X"},"institutions":[{"id":"https://openalex.org/I100066346","display_name":"University of Stuttgart","ror":"https://ror.org/04vnq7t77","country_code":"DE","type":"education","lineage":["https://openalex.org/I100066346"]}],"countries":["DE"],"is_corresponding":true,"raw_author_name":"Andreas K\u00f6hn","raw_affiliation_strings":["Institute for Theoretical Chemistry, University of Stuttgart, Stuttgart 70569, Germany"],"raw_orcid":"https://orcid.org/0000-0002-0844-842X","affiliations":[{"raw_affiliation_string":"Institute for Theoretical Chemistry, University of Stuttgart, Stuttgart 70569, Germany","institution_ids":["https://openalex.org/I100066346"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5037456696"],"corresponding_institution_ids":["https://openalex.org/I100066346"],"apc_list":{"value":4500,"currency":"USD","value_usd":4500},"apc_paid":null,"fwci":3.3091,"has_fulltext":false,"cited_by_count":10,"citation_normalized_percentile":{"value":0.92853497,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":94,"max":99},"biblio":{"volume":"64","issue":"12","first_page":"4700","last_page":"4708"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T14067","display_name":"Cloud Computing and Remote Desktop Technologies","score":0.9459999799728394,"subfield":{"id":"https://openalex.org/subfields/1708","display_name":"Hardware and Architecture"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T14067","display_name":"Cloud Computing and Remote Desktop Technologies","score":0.9459999799728394,"subfield":{"id":"https://openalex.org/subfields/1708","display_name":"Hardware and Architecture"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11407","display_name":"Innovative Microfluidic and Catalytic Techniques Innovation","score":0.9301000237464905,"subfield":{"id":"https://openalex.org/subfields/2204","display_name":"Biomedical Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11986","display_name":"Scientific Computing and Data Management","score":0.925599992275238,"subfield":{"id":"https://openalex.org/subfields/1802","display_name":"Information Systems and Management"},"field":{"id":"https://openalex.org/fields/18","display_name":"Decision Sciences"},"domain":{"id":"https://openalex.org/domains/2","display_name":"Social Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/augmented-reality","display_name":"Augmented reality","score":0.46718600392341614},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.4504644274711609},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.37995946407318115},{"id":"https://openalex.org/keywords/data-science","display_name":"Data science","score":0.35777589678764343},{"id":"https://openalex.org/keywords/human\u2013computer-interaction","display_name":"Human\u2013computer interaction","score":0.20808181166648865}],"concepts":[{"id":"https://openalex.org/C153715457","wikidata":"https://www.wikidata.org/wiki/Q254183","display_name":"Augmented reality","level":2,"score":0.46718600392341614},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.4504644274711609},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.37995946407318115},{"id":"https://openalex.org/C2522767166","wikidata":"https://www.wikidata.org/wiki/Q2374463","display_name":"Data science","level":1,"score":0.35777589678764343},{"id":"https://openalex.org/C107457646","wikidata":"https://www.wikidata.org/wiki/Q207434","display_name":"Human\u2013computer interaction","level":1,"score":0.20808181166648865}],"mesh":[{"descriptor_ui":"D000076142","descriptor_name":"Virtual Reality","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000076142","descriptor_name":"Virtual Reality","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000076142","descriptor_name":"Virtual Reality","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000081411","descriptor_name":"Augmented Reality","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000081411","descriptor_name":"Augmented Reality","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000081411","descriptor_name":"Augmented Reality","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D014584","descriptor_name":"User-Computer Interface","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014584","descriptor_name":"User-Computer Interface","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014584","descriptor_name":"User-Computer Interface","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1021/acs.jcim.4c00462","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.4c00462","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:38814047","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/38814047","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of chemical information and modeling","raw_type":"Journal Article"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G1486546336","display_name":null,"funder_award_id":"EXC2075390740016","funder_id":"https://openalex.org/F4320320879","funder_display_name":"Deutsche Forschungsgemeinschaft"},{"id":"https://openalex.org/G7249683039","display_name":null,"funder_award_id":"EXC 2075","funder_id":"https://openalex.org/F4320320879","funder_display_name":"Deutsche Forschungsgemeinschaft"}],"funders":[{"id":"https://openalex.org/F4320320879","display_name":"Deutsche Forschungsgemeinschaft","ror":"https://ror.org/018mejw64"},{"id":"https://openalex.org/F4320337214","display_name":"Stuttgart Center for Simulation Science, Universit\u00e4t Stuttgart","ror":null}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":63,"referenced_works":["https://openalex.org/W124578782","https://openalex.org/W1966966240","https://openalex.org/W1975147762","https://openalex.org/W1999638776","https://openalex.org/W2006070840","https://openalex.org/W2009880835","https://openalex.org/W2028046413","https://openalex.org/W2038702914","https://openalex.org/W2101651988","https://openalex.org/W2146541951","https://openalex.org/W2160857769","https://openalex.org/W2168410573","https://openalex.org/W2169678694","https://openalex.org/W2217269832","https://openalex.org/W2460497086","https://openalex.org/W2584817083","https://openalex.org/W2584900451","https://openalex.org/W2614505325","https://openalex.org/W2741566671","https://openalex.org/W2751503718","https://openalex.org/W2784272104","https://openalex.org/W2796266190","https://openalex.org/W2807742872","https://openalex.org/W2887683950","https://openalex.org/W2891365537","https://openalex.org/W2895541366","https://openalex.org/W2902577292","https://openalex.org/W2908903212","https://openalex.org/W2913245132","https://openalex.org/W2921480229","https://openalex.org/W2930247390","https://openalex.org/W2943039562","https://openalex.org/W2963631043","https://openalex.org/W2975449327","https://openalex.org/W3001260385","https://openalex.org/W3007178273","https://openalex.org/W3016284227","https://openalex.org/W3017284665","https://openalex.org/W3034310241","https://openalex.org/W3043300003","https://openalex.org/W3047503011","https://openalex.org/W3083406432","https://openalex.org/W3105639474","https://openalex.org/W3106685628","https://openalex.org/W3184504431","https://openalex.org/W3187163767","https://openalex.org/W3199869894","https://openalex.org/W3212488697","https://openalex.org/W4210878274","https://openalex.org/W4213083784","https://openalex.org/W4221155200","https://openalex.org/W4224103061","https://openalex.org/W4229078516","https://openalex.org/W4256411511","https://openalex.org/W4309364370","https://openalex.org/W4312719900","https://openalex.org/W4313277463","https://openalex.org/W4316511333","https://openalex.org/W4321783916","https://openalex.org/W4328096783","https://openalex.org/W4366547478","https://openalex.org/W4386477302","https://openalex.org/W4387241684"],"related_works":["https://openalex.org/W4387497383","https://openalex.org/W2948807893","https://openalex.org/W2778153218","https://openalex.org/W2748952813","https://openalex.org/W1531601525","https://openalex.org/W4391375266","https://openalex.org/W2078814861","https://openalex.org/W2527526854","https://openalex.org/W1976181487","https://openalex.org/W1986764834"],"abstract_inverted_index":{"Off-loading":[0],"visualization":[1],"and":[2,65,97,142],"interaction":[3],"into":[4,43],"virtual":[5],"reality":[6,32],"(VR)":[7],"using":[8],"head-mounted":[9],"displays":[10],"(HMDs)":[11],"has":[12,36],"gained":[13],"considerable":[14],"popularity":[15],"in":[16,20,63,71,113],"simulation":[17],"sciences,":[18],"particularly":[19],"chemical":[21],"modeling.":[22],"Because":[23],"of":[24,28,47,61,129,140],"its":[25],"unique":[26],"way":[27],"soft":[29],"immersion,":[30,141],"augmented":[31],"(AR)":[33],"HMD":[34],"technology":[35],"even":[37],"more":[38],"potential":[39],"to":[40,57,103],"be":[41],"integrated":[42],"the":[44,59,98,107],"everyday":[45],"workflow":[46],"computational":[48],"chemists.":[49],"In":[50],"this":[51,127],"work,":[52],"we":[53,121],"present":[54],"our":[55,81,123],"environment":[56,132],"explore":[58],"prospects":[60],"AR":[62],"chemistry":[64,70],"general":[66],"molecular":[67],"sciences:":[68],"The":[69],"Augmented":[72],"Reality":[73],"package":[74],"(chARpack).":[75],"Besides":[76],"providing":[77],"an":[78],"extensible":[79],"framework,":[80],"software":[82],"focuses":[83],"on":[84],"a":[85,89],"seamless":[86],"transition":[87],"between":[88],"3D":[90,95],"stereoscopic":[91],"view":[92],"with":[93,106],"true":[94],"interactions":[96],"traditional":[99],"desktop":[100],"PC":[101],"setup":[102,109],"provide":[104],"users":[105],"best":[108],"for":[110,126],"all":[111],"tasks":[112],"their":[114],"workflow.":[115],"Using":[116],"feedback":[117],"from":[118],"domain":[119],"experts,":[120],"discuss":[122],"design":[124],"requirements":[125],"kind":[128],"hybrid":[130],"working":[131],"(AR":[133],"+":[134],"PC),":[135],"regarding":[136],"input,":[137],"features,":[138],"degree":[139],"collaboration.":[143]},"counts_by_year":[{"year":2026,"cited_by_count":4},{"year":2025,"cited_by_count":4},{"year":2024,"cited_by_count":2}],"updated_date":"2026-08-21T09:56:20.448147","created_date":"2025-10-10T00:00:00"}
