Klein, a British native, was naturalized in the United States in 1993. Klein obtained a B.Sc. from the University of Bristol in 1961, followed by a Ph.D. in 1964.[5] His research career includes the fields of chemistry and physics. Klein was a CIBA-Geigy Research Fellow of Physics at the University of Genoa in Italy from 1964-1965. Then went on to complete his chemistry research as an ICI Research Fellow at the University of Bristol from 1965-1967. His education and career then moved to the United States in 1967 where he served as a Research Associate of Physics at Rutgers University in New Jersey.
Klein has advanced the field of computer simulation and modelling of molecular systems over a broad front. His early works focused on developing pragmatic intermolecular force fields to be used in computer simulation Monte Carlo and molecular dynamics (MD) simulations of molecular systems, such as water and aqueous solutions. During the 1980s and early 1990s, his group developed and elaborated algorithms and methodologies to enable the efficient and rigorous computer simulation of macromolecular systems. These seminal works have been influential and are very highly cited because of their broad utility. Every modern MD simulation code employs these algorithms in one form or other. Thus, modern molecular simulation studies of chemical systems ranging from surfactants to proteins and from lipid membranes to energy materials - including solid electrolyte fuel cells, and so-called “green” ionic liquids - take advantage of these algorithms. His pioneering simulation studies of surfactants, lipid membranes, and membrane-bound ion channels are noteworthy.[8]
ISI ratings
Google Scholar lists more than 1,200 items (publications, abstracts, & reports), of which 697 have 10 or more citations each. Hirsch Index, h-index = 124. Total Citations are almost 108,000, increasing by about 7,000/year. His publication on Classical Monte Carlo simulations in The Journal of chemical physics has been cited over 35,000 times.[9]
