Laura H. Carnell Professor of Science, Temple University
Work Address: Dean, College of Science & Technology, Temple University SERC Building, Room 704E, 1925 North 12th Street, Philadelphia, PA 19122
Telephone: +1-215-204-1327 Email: firstname.lastname@example.org
Klein has advanced the field of computer simulation and modeling 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 1980’s and early 1990’s 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. In particular, they set the stage for the design of channel blocking drugs and other membrane active molecules that have potential to augments the deficiencies in the current antibiotics pipeline.
Klein realized early on the power of the employing computer simulations with empirical and/or quantum-‐chemistry derived force fields to help rationalize contemporary experiments in the chemical sciences. In so doing, he was able to gain unprecedented understanding of self-‐assembling macromolecular systems. Klein also pioneered the notion of employing so-‐called coarse grain models, which are an especially valuable approach for chemical systems obviously too large and complex to be handled by either analytical theory or quantum chemical methods. In his more recent works, Klein continues to advance the field of molecular simulations with new sampling algorithms . His current research is focused on understanding the behavior of membrane-bound ion channels and self-assembly of membrane-mimetic dendritic macromolecules.
According to Google Scholar, Klein ’s portfolio of publications has more than 86,000 citations and a Hirsch Index, h= 113. There are more than 640 publications, each with at least 10 citations. Importantly, more than 130 post-docs and graduate students from the Klein research group now work in the USA, Canada, UK, France, Germany, Switzerland, Sweden, Italy, Japan, India, China, Brazil, and Argentina as professors in academia, and either in government or industry research labs.
In summary, Klein has contributed wide ranging seminal contributions to the field of computer simulation and modeling of molecular systems, spanning from algorithms and methodologies to a diverse array of timely applications.
As Dean of Science & Technology, Klein has created research institutes and centers of excellence and recruited world class scientists to lead them. Consequently, according to a recent ranking based on Google Scholar Citations, Temple is now 87th in the World: http:// www.webometrics.info/en/node/169