{"title":"为无序晶体结构所带来的计算挑战提供可靠的解决方案。","authors":"Peter R. Spackman","doi":"10.1107/S2052252524001684","DOIUrl":null,"url":null,"abstract":"<div><p>Crystal structues exhibiting disorder still present a barrier for many computational methods. Dittrich <em>et al.</em> [(2024). <em>IUCrJ</em>, <strong>11</strong>, 347–358] showcase a unified approach, tackling solid solutions, near symmetry and more.</p></div>","PeriodicalId":14775,"journal":{"name":"IUCrJ","volume":"11 3","pages":"Pages 275-276"},"PeriodicalIF":2.9000,"publicationDate":"2024-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11067745/pdf/","citationCount":"0","resultStr":"{\"title\":\"A solid solution to computational challenges presented by crystal structures exhibiting disorder\",\"authors\":\"Peter R. Spackman\",\"doi\":\"10.1107/S2052252524001684\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Crystal structues exhibiting disorder still present a barrier for many computational methods. Dittrich <em>et al.</em> [(2024). <em>IUCrJ</em>, <strong>11</strong>, 347–358] showcase a unified approach, tackling solid solutions, near symmetry and more.</p></div>\",\"PeriodicalId\":14775,\"journal\":{\"name\":\"IUCrJ\",\"volume\":\"11 3\",\"pages\":\"Pages 275-276\"},\"PeriodicalIF\":2.9000,\"publicationDate\":\"2024-05-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11067745/pdf/\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"IUCrJ\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://www.sciencedirect.com/org/science/article/pii/S2052252524000368\",\"RegionNum\":2,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"IUCrJ","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/org/science/article/pii/S2052252524000368","RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
A solid solution to computational challenges presented by crystal structures exhibiting disorder
Crystal structues exhibiting disorder still present a barrier for many computational methods. Dittrich et al. [(2024). IUCrJ, 11, 347–358] showcase a unified approach, tackling solid solutions, near symmetry and more.
期刊介绍：
IUCrJ is a new fully open-access peer-reviewed journal from the International Union of Crystallography (IUCr).
The journal will publish high-profile articles on all aspects of the sciences and technologies supported by the IUCr via its commissions, including emerging fields where structural results underpin the science reported in the article. Our aim is to make IUCrJ the natural home for high-quality structural science results. Chemists, biologists, physicists and material scientists will be actively encouraged to report their structural studies in IUCrJ.
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