{"title":"SHAKE and the exact constraint satisfaction of the dynamics of semi-rigid molecules in Cartesian coordinates, 1973–1977","authors":"Daniele Macuglia","doi":"10.1007/s00407-023-00306-0","DOIUrl":"10.1007/s00407-023-00306-0","url":null,"abstract":"<div><p>This essay traces the history of early molecular dynamics simulations, specifically exploring the development of SHAKE, a constraint-based technique devised in 1976 by Jean-Paul Ryckaert, Giovanni Ciccotti and the late Herman Berendsen at CECAM (Centre Européen de Calcul Atomique et Moléculaire). The work of the three scientists proved to be instrumental in giving impetus to the MD simulation of complex polymer systems and it currently underpins the work of thousands of researchers worldwide who are engaged in computational physics, chemistry and biology. Despite its impact and its role in bringing different scientific fields together, accurate historical studies on the birth of SHAKE are virtually absent. By collecting and elaborating on the accounts of Ryckaert and Ciccotti, this essay aims to fill this gap, while also commenting on the conceptual and computational difficulties faced by its developers.</p></div>","PeriodicalId":50982,"journal":{"name":"Archive for History of Exact Sciences","volume":"77 4","pages":"345 - 371"},"PeriodicalIF":0.5,"publicationDate":"2023-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s00407-023-00306-0.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43689315","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"哲学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Canonical transformations from Jacobi to Whittaker","authors":"Craig Fraser, Michiyo Nakane","doi":"10.1007/s00407-022-00303-9","DOIUrl":"10.1007/s00407-022-00303-9","url":null,"abstract":"<div><p>The idea of a canonical transformation emerged in 1837 in the course of Carl Jacobi's researches in analytical dynamics. To understand Jacobi's moment of discovery it is necessary to examine some background, especially the work of Joseph Lagrange and Siméon Poisson on the variation of arbitrary constants as well as some of the dynamical discoveries of William Rowan Hamilton. Significant figures following Jacobi in the middle of the century were Adolphe Desboves and William Donkin, while the delayed posthumous publication in 1866 of Jacobi's full dynamical corpus was a critical event. François Tisserand's doctoral dissertation of 1868 was devoted primarily to lunar and planetary theory but placed Hamilton–Jacobi mathematical methods at the forefront of the investigation. Henri Poincaré's writings on celestial mechanics in the period 1890–1910 succeeded in making canonical transformations a fundamental part of the dynamical theory. Poincaré offered a mathematical vision of the subject that differed from Jacobi's and would become influential in subsequent research. Two prominent researchers around 1900 were Carl Charlier and Edmund Whittaker, and their books included chapters devoted explicitly to transformation theory. In the first three decades of the twentieth century Hamilton–Jacobi theory in general and canonical transformations in particular would be embraced by a range of researchers in astronomy, physics and mathematics.</p></div>","PeriodicalId":50982,"journal":{"name":"Archive for History of Exact Sciences","volume":"77 3","pages":"241 - 343"},"PeriodicalIF":0.5,"publicationDate":"2023-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49249749","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"哲学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Helmholtz and the geometry of color space: gestation and development of Helmholtz’s line element","authors":"Giulio Peruzzi, Valentina Roberti","doi":"10.1007/s00407-023-00304-2","DOIUrl":"10.1007/s00407-023-00304-2","url":null,"abstract":"<div><p>Modern color science finds its birth in the middle of the nineteenth century. Among the chief architects of the new color theory, the name of the polymath Hermann von Helmholtz stands out. A keen experimenter and profound expert of the latest developments of the fields of physiological optics, psychophysics, and geometry, he exploited his transdisciplinary knowledge to define the first non-Euclidean line element in color space, i.e., a three-dimensional mathematical model used to describe color differences in terms of color distances. Considered as the first step toward a metrically significant model of color space, his work inaugurated researches on <i>higher color metrics</i>, which describes how distance in the color space translates into perceptual difference. This paper focuses on the development of Helmholtz’s mathematical derivation of the line element. Starting from the first experimental evidence which opened the door to his reflections about the geometry of color space, it will be highlighted the pivotal role played by the studies conducted by his assistants in Berlin, which provided precious material for the elaboration of the final model proposed by Helmholtz in three papers published between 1891 and 1892. Although fallen into oblivion for about three decades, Helmholtz’s masterful work was rediscovered by Schrödinger and, since the 1920s, it has provided the basis for all subsequent studies on the geometry of color spaces up to the present time.</p></div>","PeriodicalId":50982,"journal":{"name":"Archive for History of Exact Sciences","volume":"77 2","pages":"201 - 220"},"PeriodicalIF":0.5,"publicationDate":"2023-01-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s00407-023-00304-2.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49056592","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"哲学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Joseph Ibn Waqār and the treatment of retrograde motion in the middle ages","authors":"Bernard R. Goldstein, José Chabás","doi":"10.1007/s00407-022-00301-x","DOIUrl":"10.1007/s00407-022-00301-x","url":null,"abstract":"<div><p>In this article, we report the discovery of a new type of astronomical almanac by Joseph Ibn Waqār (Córdoba, fourteenth century) that begins at second station for each of the planets and may have been intended to serve as a template for planetary positions beginning at any dated second station. For background, we discuss the Ptolemaic tradition of treating stations and retrograde motions as well as two tables in Arabic zijes for the anomalistic cycles of the planets in which the planets stay at first and second stations for a period of time (in contrast to the Ptolemaic tradition). Finally, we consider some medieval astrological texts where stations or retrograde motions are invoked.</p></div>","PeriodicalId":50982,"journal":{"name":"Archive for History of Exact Sciences","volume":"77 2","pages":"175 - 199"},"PeriodicalIF":0.5,"publicationDate":"2023-01-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s00407-022-00301-x.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42906865","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"哲学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Correction to: “The language of Dirac’s theory of radiation”: the inception and initial reception of a tool for the quantum field theorist","authors":"Markus Ehberger","doi":"10.1007/s00407-022-00300-y","DOIUrl":"10.1007/s00407-022-00300-y","url":null,"abstract":"","PeriodicalId":50982,"journal":{"name":"Archive for History of Exact Sciences","volume":"77 1","pages":"121 - 122"},"PeriodicalIF":0.5,"publicationDate":"2022-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s00407-022-00300-y.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"50529219","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"哲学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"On fluidity of the textual transmission in Abraham bar Hiyya’s Ḥibbur ha-Meshiḥah ve-ha-Tishboret","authors":"Michael Friedman, David Garber","doi":"10.1007/s00407-022-00297-4","DOIUrl":"10.1007/s00407-022-00297-4","url":null,"abstract":"<div><p>We examine one of the well-known mathematical works of Abraham bar Ḥiyya: <i>Ḥibbur ha-Meshiḥah ve-ha-Tishboret</i>, written between 1116 and 1145, which is one of the first extant mathematical manuscripts in Hebrew. In the secondary literature about this work, two main theses have been presented: the first is that one <i>Urtext</i> exists; the second is that two recensions were written—a shorter, more practical one, and a longer, more scientific one. Critically comparing the eight known copies of the <i>Ḥibbur</i>, we show that contrary to these two theses, one should adopt a fluid model of textual transmission for the various manuscripts of the <i>Ḥibbur</i>, because neither of these two theses can account fully for the changes among the various manuscripts. We hence offer to concentrate on the typology of the variations among the various manuscripts, dealing with macro-changes (such as omissions or additions of proofs, additional appendices or a reorganization of the text itself)<i>,</i> and micro-changes (such as textual and pictorial variants).</p></div>","PeriodicalId":50982,"journal":{"name":"Archive for History of Exact Sciences","volume":"77 2","pages":"123 - 174"},"PeriodicalIF":0.5,"publicationDate":"2022-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49504855","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"哲学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"A terminological history of early elementary particle physics","authors":"Helge Kragh","doi":"10.1007/s00407-022-00299-2","DOIUrl":"10.1007/s00407-022-00299-2","url":null,"abstract":"<div><p>By 1933, the class of generally accepted elementary particles comprised the electron, the photon, the proton as well as newcomers in the shape of the neutron, the positron, and the neutrino. During the following decade, a new and poorly understood particle, the mesotron or meson, was added to the list. By paying close attention to the names of these and other particles and to the sometimes controversial proposals of names, a novel perspective on this well-researched line of development is offered. Part of the study investigates the circumstances around the coining of “positron” as an alternative to “positive electron.” Another and central part is concerned with the many names associated with the discovery of what in the late 1930s was generally called the “mesotron” but eventually became known as the “meson” and later again the muon and pion. The naming of particles in the period up to the early 1950s was more than just a matter of agreeing on convenient terms, it also reflected different conceptions of the particles and in some cases the uncertainty regarding their nature and relations to existing theories. Was the particle discovered in the cosmic rays the same as the one responsible for the nuclear forces? While two different names might just be synonymous referents, they might also refer to widely different conceptual images.</p></div>","PeriodicalId":50982,"journal":{"name":"Archive for History of Exact Sciences","volume":"77 1","pages":"73 - 120"},"PeriodicalIF":0.5,"publicationDate":"2022-09-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s00407-022-00299-2.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42323045","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"哲学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"History and nature of the Jeffreys–Lindley paradox","authors":"Eric-Jan Wagenmakers, Alexander Ly","doi":"10.1007/s00407-022-00298-3","DOIUrl":"10.1007/s00407-022-00298-3","url":null,"abstract":"<div><p>The Jeffreys–Lindley paradox exposes a rift between Bayesian and frequentist hypothesis testing that strikes at the heart of statistical inference. Contrary to what most current literature suggests, the paradox was central to the Bayesian testing methodology developed by Sir Harold Jeffreys in the late 1930s. Jeffreys showed that the evidence for a point-null hypothesis <span>({mathcal {H}}_0)</span> scales with <span>(sqrt{n})</span> and repeatedly argued that it would, therefore, be mistaken to set a threshold for rejecting <span>({mathcal {H}}_0)</span> at a constant multiple of the standard error. Here, we summarize Jeffreys’s early work on the paradox and clarify his reasons for including the <span>(sqrt{n})</span> term. The prior distribution is seen to play a crucial role; by implicitly correcting for selection, small parameter values are identified as relatively surprising under <span>({mathcal {H}}_1)</span>. We highlight the general nature of the paradox by presenting both a fully frequentist and a fully Bayesian version. We also demonstrate that the paradox does not depend on assigning prior mass to a point hypothesis, as is commonly believed.</p></div>","PeriodicalId":50982,"journal":{"name":"Archive for History of Exact Sciences","volume":"77 1","pages":"25 - 72"},"PeriodicalIF":0.5,"publicationDate":"2022-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s00407-022-00298-3.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48075356","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"哲学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Einstein’s second-biggest blunder: the mistake in the 1936 gravitational-wave manuscript of Albert Einstein and Nathan Rosen","authors":"Alexander S. Blum","doi":"10.1007/s00407-022-00295-6","DOIUrl":"10.1007/s00407-022-00295-6","url":null,"abstract":"<div><p>In a 1936 manuscript submitted to the Physical Review, Albert Einstein and Nathan Rosen famously claimed that gravitational waves do not exist. It has generally been assumed that there was a conceptual error underlying this fallacious claim. It will be shown, through a detailed study of the extant referee report, that this claim was probably only the result of a calculational error, the accidental use of a pathological coordinate transformation.</p></div>","PeriodicalId":50982,"journal":{"name":"Archive for History of Exact Sciences","volume":"76 6","pages":"623 - 632"},"PeriodicalIF":0.5,"publicationDate":"2022-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s00407-022-00295-6.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42174441","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"哲学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Desargues’s concepts of involution and transversal, their origin, and possible sources of inspiration","authors":"Andrea Del Centina","doi":"10.1007/s00407-022-00296-5","DOIUrl":"10.1007/s00407-022-00296-5","url":null,"abstract":"<div><p>In this paper, we try to understand what considerations and possible sources of inspiration Desargues used to formulate his concepts of involution and transversal, and to state the related theorems that are at the basis of his <i>Brouillon project</i>. To this end, we trace some clues which are found scattered throughout his works, we connect them together in the light of his experience and knowledge in the field of perspective, and we investigate what were his motivations within Mersenne’s academy. As a result of our research, we can safely say that were his great geometrical insight and his projective vision of space which, guided by some classical theorems, led him to these completely new concepts in the <i>panorama</i> of the geometry of that time that were destined to remain misunderstood for about two centuries.</p></div>","PeriodicalId":50982,"journal":{"name":"Archive for History of Exact Sciences","volume":"76 6","pages":"573 - 622"},"PeriodicalIF":0.5,"publicationDate":"2022-08-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s00407-022-00296-5.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43051795","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"哲学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}