{"title":"An efficient solution technique for fractional integro-differential equations modeling chemical phenomena","authors":"Anupam, Amit K. Barnwal, Randhir Singh","doi":"10.1007/s10910-026-01800-w","DOIUrl":null,"url":null,"abstract":"<div><p>Fractional integro-differential equations serve as powerful mathematical tools that model complex real-world phenomena with memory effects and non-local dependencies, providing superior accuracy over traditional integer-order models across diverse fields, including physics, chemistry, biology, engineering, and finance. In this work, we propose an efficient numerical method for approximating the solution of second-order fractional integro-differential equations. The approach reformulates the original problem into a real-valued functional using the least-squares technique. Minimizing this functional then yields the numerical solution to the considered problem. We assess the accuracy of the proposed method by applying it to several benchmark test problems and comparing the results with those of existing techniques, including the Haar wavelet method, the fractional iteration method, the <span>\\(C^3\\)</span>-spline method, and the reproducing kernel least-squares method. The findings indicate that the proposed approach achieves higher accuracy than these existing methods. To demonstrate the broad applicability of the proposed approach, we solve the well-known Bagley-Torvik equation, can be regarded as a special case of the our proposed problem. Furthermore, we have conducted a thorough analysis of error estimation and the existence and uniqueness of the solution, thereby providing strong theoretical support for our numerical strategy.</p></div>","PeriodicalId":648,"journal":{"name":"Journal of Mathematical Chemistry","volume":"64 6","pages":""},"PeriodicalIF":2.0000,"publicationDate":"2026-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Mathematical Chemistry","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1007/s10910-026-01800-w","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
Fractional integro-differential equations serve as powerful mathematical tools that model complex real-world phenomena with memory effects and non-local dependencies, providing superior accuracy over traditional integer-order models across diverse fields, including physics, chemistry, biology, engineering, and finance. In this work, we propose an efficient numerical method for approximating the solution of second-order fractional integro-differential equations. The approach reformulates the original problem into a real-valued functional using the least-squares technique. Minimizing this functional then yields the numerical solution to the considered problem. We assess the accuracy of the proposed method by applying it to several benchmark test problems and comparing the results with those of existing techniques, including the Haar wavelet method, the fractional iteration method, the \(C^3\)-spline method, and the reproducing kernel least-squares method. The findings indicate that the proposed approach achieves higher accuracy than these existing methods. To demonstrate the broad applicability of the proposed approach, we solve the well-known Bagley-Torvik equation, can be regarded as a special case of the our proposed problem. Furthermore, we have conducted a thorough analysis of error estimation and the existence and uniqueness of the solution, thereby providing strong theoretical support for our numerical strategy.
期刊介绍:
The Journal of Mathematical Chemistry (JOMC) publishes original, chemically important mathematical results which use non-routine mathematical methodologies often unfamiliar to the usual audience of mainstream experimental and theoretical chemistry journals. Furthermore JOMC publishes papers on novel applications of more familiar mathematical techniques and analyses of chemical problems which indicate the need for new mathematical approaches.
Mathematical chemistry is a truly interdisciplinary subject, a field of rapidly growing importance. As chemistry becomes more and more amenable to mathematically rigorous study, it is likely that chemistry will also become an alert and demanding consumer of new mathematical results. The level of complexity of chemical problems is often very high, and modeling molecular behaviour and chemical reactions does require new mathematical approaches. Chemistry is witnessing an important shift in emphasis: simplistic models are no longer satisfactory, and more detailed mathematical understanding of complex chemical properties and phenomena are required. From theoretical chemistry and quantum chemistry to applied fields such as molecular modeling, drug design, molecular engineering, and the development of supramolecular structures, mathematical chemistry is an important discipline providing both explanations and predictions. JOMC has an important role in advancing chemistry to an era of detailed understanding of molecules and reactions.