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Michael Peter Barnett (24 March 1929 – 13 March 2012) was a British theoretical chemist and computer scientist. He developed mathematical and computer techniques for quantum chemical problems, and some of the earliest software for several other kinds of computer application. After his early days in London, Essex and Lancashire, he went to King's College, London, in 1945, the Royal Radar Establishment in Malvern in 1953, IBM UK in 1955, the University of Wisconsin Department of Chemistry in 1957, and the MIT Solid State and Molecular Theory Group in 1958. At MIT he was an Associate Professor of Physics and Director of the Cooperative Computing Laboratory. He returned to England, to the Institute of Computer Science of the University of London in 1964, and then back to United States the following year. He worked in industry, and taught at Columbia University 1975–77 and the City University of New York, 1977–96, retiring as an Emeritus Professor. After retirement he focused on symbolic calculation in quantum chemistry and nuclear magnetic resonance. == Early life and career == Barnett spent most of the World War II years near Fleetwood in Lancashire. He attended Baines' Grammar School in Poulton-le-Fylde, then went to King's College, London in 1945, where he received a BSc in Chemistry in 1948, a PhD for work in the Theoretical Physics Department with Charles Coulson in 1952, that he continued on a one-year post-doctoral fellowship. His assigned project was to determine if electrostatic forces could account for the energy needed to make two parts of an ethane molecule rotate around the bond that joins them.〔Michael Peter Barnett, ''The Evaluation of Integrals Occurring in the theory of molecular structure''. PhD thesis, University of London, 1952.〕 This work required the evaluation of certain mathematical objects – molecular integrals over Slater orbitals. Barnett extended some earlier work by Charles Coulson〔Charles A Coulson, ''The evaluation of certain integrals occurring in the theory of molecular structure'', Proceedings of the Cambridge Philosophical Society, 33, 104, 1937.〕 by discovering some recurrence formulas,〔〔Michael P Barnett and Charles A Coulson, Evaluation of integrals occurring in the theory of molecular structure, Part I: Basic Functions, Phil. Trans. Roy. Soc. (London) A 243, 221–233, 1951.〕〔Michael P Barnett and Charles A Coulson, Evaluation of integrals occurring in the theory of molecular structure, Part II: Overlap, resonance, Coulomb, hybrid and other two-centre integrals, Phil. Trans. Roy. Soc. (London) A 243, 234–249, 1951.〕 that are part of a method of analysis and computation frequently referred to as the Barnett-Coulson expansion.〔(M J M Bernal and J M Mills, ''Evaluation of molecular integrals by the method of Barnett and Coulson'', DTC online, ''Information for the Defense Community'', 1960. )〕〔John C Slater, ''Quantum Theory of Matter'', McGraw-Hill 1968, p. 543–545.〕 Molecular integrals remain a significant problem in quantum chemistry〔Hassan Safouhi and Ahmed Bouferguene, ''Computational chemistry'', in Mohamed Medhat Gaber, ''Scientific Data Mining and Knowledge Discovery: Principles and Foundations'', Springer, New York, 2010. ISBN 978-3-642-02787-1, e-ISBN 978-3-642-02788-8. page 173.〕 and continued to be one of Barnett's main interests.〔Michael P Barnett, ''Chemical calculations and chemicals that might calculate'', International Journal of Quantum Chemistry, 109, 1640–1657, 2009.〕 Two years after Barnett started this work, he was invited to be one of the twenty-five participants in a conference that was organised by Robert Mulliken, sponsored by the National Academy of Sciences and known, from its venue, as the Shelter Island Conference on Quantum Mechanics in Valence Theory.〔Robert G Parr and Bryce L Crawford. ''National Academy of Sciences Conference on Quantum-Mechanical Methods in Valence Theory'', Proceedings of the National Academy of Sciences, 38, 547–554, 1952.〕〔R.G. Parr, ''The Genesis of a Theory'', International Journal of Quantum Chemistry, 37, 327–347, 1996.〕 Barnett's attendance was enabled by the British Rayon Research Association, which supported his post-graduate work.〔C A Coulson and M P Barnett, ''The evaluation of unit molecular integrals'', Proceedings of the Shelter Island conference "Quantum Mechanics in Valence Theory", 237–271, Office of Naval Research, Washington, DC. 1951 – see Acknowledgements.〕 At the Royal Radar Establishment, Barnett held a Senior Government Fellowship. He worked on aspects of theoretical solid state physics, that included the properties of organic semiconductors.〔M P Barnett (ed), ''Band Structure: Theory and Experiment. Proceedings of a Symposium Held at RRE Malvern on 27 and 28 September 1954.〕 As part of his work at IBM UK, he directed a model 650 computer centre. He directed and participated in numerous projects that included (1) calculating DNA structures from crystallographic data,〔R. W. Langridge, M. P. Barnett and A. F. Mann, ''Calculation of the Fourier transform of a helical molecule'', Journal of Molecular Biology, 2, 63, 1960.〕 and (2) simulations to plan the location and operation of dams and reservoirs on the River Nile, working with Humphry Morrice, the hydrological advisor to the Government of the Sudan, and his predecessor, Nimmo Allen.〔H.A.W. Morrice and W N Allan, ''Planning for the ultimate hydraulic development of the Nile Valley'', Proceedings of the Institute of Civil Engineers, 14, 101, 1959.〕〔M P Barnett, ''Comment on the Nile Valley Calculations'', Journal of the Royal Statistical Society, Series B, vol. 19, 223, 1957.〕 In 1957, Barnett accepted an invitation from Joseph Hirschfelder,〔(R.B. Bird, C.F. Curtiss and P.R. Certain, ''Joseph Oakland Hirschfelder, May 27, 1911 – March 30, 1990'', Biographical Memoirs, 66, 190–205, 1995, The National Academies Press, Washington, D.C. )〕 in the Chemistry Department of the University of Wisconsin at Madison, to work on mathematical theories of combustion and detonation.〔C. F. Curtiss, J. O. Hirschfelder and M P Barnett, ''Theory of detonations, Part III: Ignition temperature approximation'', Journal of Chemical Physics, 30, 470, 1959.〕 抄文引用元・出典: フリー百科事典『 ウィキペディア（Wikipedia）』 ■ウィキペディアで「Michael P. Barnett」の詳細全文を読む スポンサード リンク
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