Comprehensive Computational Chemistry

1st Edition - September 11, 2023

Editors: Russell Boyd, Manuel Yanez

Hardback ISBN:

9 7 8 - 0 - 1 2 - 8 2 1 9 7 8 - 2

Comprehensive Computational Chemistry, Four Volume Set consists of around 140 chapters covering the full spectrum of the field, including the fundamental basis of the theoretical… Read more

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Comprehensive Computational Chemistry, Four Volume Set consists of around 140 chapters covering the full spectrum of the field, including the fundamental basis of the theoretical methods used in a broad range of topics in chemistry, the development of algorithms and software packages, and a broad range of applications to topics in atmospheric chemistry, biochemistry, materials science and medicinal chemistry, and other areas in which computational chemistry is having an impact.

Russell Boyd

Biography of Russell Boyd Russell Boyd is Alexander McLeod Professor Emeritus at Dalhousie University. He graduated in 1967 from the University of British Columbia with First-Class Honours in Chemistry and the Lefevre Gold Medal. Upon receiving his PhD in 1971 in Theoretical Chemistry from McGill University, he went to Oxford University as an NRC Postdoctoral Fellow with Charles Coulson at the Mathematical Institute. He returned to Canada as a Killam Postdoctoral Fellow in Chemistry at UBC from 1973 to 1975. He joined Dalhousie University in 1975 and rose through the ranks to become a Professor in 1985. He was named a Killam Professor in 1997 and in 2001 he became the seventh Alexander McLeod Professor of Chemistry. The McLeod Chair, one of the oldest named professorships in Canada, was created in 1884. His administrative roles at Dalhousie University include serving as Chair of the Department of Chemistry from 1992 to 2005 and Associate Vice-President of Research from 2006 to 2011. He has published about 300 peer-reviewed papers and review chapters in computational and theoretical chemistry and co-edited in 2007 The Quantum Theory of Atoms in Molecules. He has supervised the research of 25 PhD students, more than 25 postdoctoral fellows and senior visitors, and a comparable number of undergraduate students. He is Editor-in-Chief of a forthcoming major reference work entitled Comprehensive Computational Chemistry. Professor Boyd is a member of the Scientific Board of the World Association of Theoretical and Computational Chemists (WATOC) and Chair of the 12th Triennial Congress WATOC. His many professional activities include serving as Editor for Theoretical Chemistry of the Canadian Journal of Chemistry from 1988 to 1998, President of the Canadian Society for Chemistry for 2007-2008, and Chair of The Chemical Institute of Canada for 2012-2013. He was elected to the Bureau of the International Union of Pure and Applied Chemistry (IUPAC) in 2013, and he was elected to the Executive Committee of IUPAC in 2019. He has served on five committees (two as Chair) of the Natural Sciences and Engineering Research Council of Canada and numerous national selection committees including the Steacie Prize for Natural Sciences, the Adjudication Committee of the Canada-Fulbright Program, the Canadian Science and Engineering Hall of Fame, the Killam Selection Committee of the Canada Council, and the NSF (USA) Science and Technology Centers Selection Panel. He received the 2009 Montreal Medal of the Chemical Institute of Canada in recognition of his distinguished contributions to the profession of chemistry in Canada.

Affiliations and expertise

Alexander McLeod Professor Emeritus, Dalhousie University, Halifax, Canada

Manuel Yanez

Biography of Manuel Yáñez Manuel Yáñez is Professor Emeritus at the Universidad Autónoma de Madrid (UAM). He graduated in Chemistry at the University of Santiago de Compostela in 1970, with an Extraordinary Award. He also received the National End of Career Award. Upon receiving his PhD in 1973 in Theoretical Chemistry from the UAM and the Extraordinary Doctorate Award, he went to Carnegie-Mellon University as Postdoctoral Research Associate with John Pople (Nobel Prize in Chemistry in 1998). Back in Spain he continued working in Theoretical Chemistry as Assistant professor at the UAM and since 1983 as Full Professor. He was head of the Department of Chemistry in the period 1994-1997. He was the Director of the Supercomputing Center of the UAM in the period 1998-2002. He was Visiting Professor at the University of Sydney (Sydney, Australia) in 2003, At the École Nationale Superieure de Chimie de Rennes in 2010, at the Université d'Evry (Paris France) in 2004, 2012 and 2015 and at Dalhousie University (Halifax, Canada) in 2012. He has published more than 500 articles and more than 20 book chapters. He has supervised more than 30 Master and PhD students, of which several currently hold relevant positions in different universities and companies in different European countries. He was Chairman of the Third Europhysics Summer School on Chemical Physics: Ion Chemistry. Santander (Spain). He was the Spanish representative in the European Committee of Integrative Computational Chemistry. He was the Coordinator of the "European Master on Theoretical Chemistry and Computational Modelling" distinguished with the Eurolabel of the European Chemistry Thematic Network and as Erasmus+ Master. He was Coordinator of a Marie Sklodowska Curie action that involved 12 European Universities and 9 private companies and two Supercomputing Centers at a European level. He is Co-Editor-in-Chief of a forthcoming major reference work entitled Comprehensive Computational Chemistry. Along his carrier he received different distinctions, the Research Award from the UAM Foundation, the Research Award from the Royal Spanish Society of Chemistry, the Bettancourt-Perronet Award from the French Government. In 2015 he was appointed Academician of the Royal Academy of Exact, Physical and Natural Sciences (RACE). In 2017 he was invested Doctor Honoris Causa by the University of the Basque Country and in 2018 received the Award for a Distinguished Career from the Royal Spanish Society of Chemistry. Professor Yáñez is a member of the Scientific Board of the World Association of Theoretical and Computational Chemists (WATOC) and Chair of the 9th Triennial Congress WATOC. He is also member of the Board of the Division of Computational and Theoretical Chemistry of the European Chemical Society, EuChemS(DCTC). He was Vice President of the European Division of Computational Chemistry before its integration in EuChemS. He was Editor of Journal of Molecular Structure (Theochem) and Computational and Theoretical Chemistry (Elsevier) and Editor in Chief of Anales de Química of the Spanish Royal Society of Chemistry (RSEQ). He was member of the Editorial Board of Mass Spectrometry Reviews and the Open Chemical Physics Journal. He has organized various scientific events, including Summer Schools, Workshops, Symposia and the world's most important congress on theoretical and computational chemistry, WATOC-2011 in Santiago de Compostela.

Affiliations and expertise

Professor Emeritus, Autonomous University of Madrid, Spain