Michael Klein

Temple University
Institute for Computational Molecular Science
SERC 704E
1925 N. 12th Street
Philadelphia, PA 19122

Phone: (215) 204-4212
Email: mlklein@temple.edu

Web:
https://icms.cst.temple.edu/

Michael L. Klein received his Ph.D. in Chemistry from the University of Bristol, UK. After holding post-doc positions in Italy, the UK and the US, he joined the staff of National Research Council of Canada in 1968. In 1987 he moved to the University of Pennsylvania as Professor of Chemistry. He became Director of the Laboratory for Research on the Structure of Matter in 1993. In 2009, Professor Klein joined Temple as a Laura H. Carnell Professor of Science and the Director of the Institute for Computational Molecular Science. He was appointed Dean of the College of Science and Technology at Temple in 2013.

Professor Klein is a member of the National Academy of Sciences (2009), a Fellow of the Royal Society of London (2003), and an Honorary Fellow of Trinity College in Cambridge, UK (2013). His NAS election citation states: “Klein has advanced the frontiers of computer simulation for condensed phase molecular systems. His research has influenced the interpretation of experiments on the structural and dynamical behavior of disordered crystals, hydrogen bonded liquids, conducting fluids, supercooled liquids, self-assembled monolayers, and lipid bilayers.”

Research Interests

Quantum mechanical and statistical thermodynamic modeling of molecular phenomena with computer simulations

Honors & Awards

2014 Indian Academy of Sciences- CV Raman Professor
2013 Honorary Fellow, Trinity College Cambridge UK
2013 Fellow, Royal Society of Chemistry UK
2011 Royal Society of Chemistry-FS Boys- A Rahman Prize
2009 National Academy of Sciences
2008 American Chemical Society – Peter Debye Award
2008 University of Oxford – Hinshelwood Lecturer
2008 Honorary Fellow, Chemical Research Society of India
2006 Chemical Research Society of India – CNR Rao Award
2005 Honorary Fellow, Indian Academy of Sciences – Bangalore
2005 Honorary Member, Materials Research Society of India
2004 European Physical Society, CECAM Prize for Computation
2004 Associate of TWAS, The World Academy of Sciences
2003 Fellow, Royal Society of London
2003 Fellow, American Academy of Arts & Sciences
2003 Fellow, Institute of Physics UK
2003 Schlumberger Professor, Oxford & Cambridge, UK
1999 American Physical Society, Aneesur Rahman Prize
1998 American Chemical Society, Philadelphia Section Award
1998 Linnett Professorship, University of Cambridge, UK
1998 Honorary Fellow, Sydney Sussex College, Cambridge, UK
1997 Miller Professorship, University of California, Berkeley
1996 Alexander von Humboldt Award, MPI, Stuttgart
1993 Hepburn Professor of Physical Science, Penn
1991-93 William Smith Professor, Penn
1991 Fellow, American Physical Society
1989 Guggenheim Fellow
1988 Néel Professor, École Normale Supérieure, Lyon, France
1985 Fellow Commoner, Trinity College Cambridge, UK
1984 Fellow, Royal Society of Canada

5 most relevant publications

Hydration structure of salt solutions from ab initio molecular dynamics (2013) A Bankura, V Carnevale, ML Klein The Journal of Chemical Physics 138, 014501
Quantitative Description of Electron Transfer Reactions (2011) PHL Site, A Migliore, ML Klein, N Marzari Fuel Cell Science: Theory, Fundamentals, & Biocatalysis, 4570487
Exploring Multidimensional Free Energy Landscapes Using Time-Dependent Biases on Collective Variables (2010) J Hénin, G Fiorin, C Chipot, ML Klein J. C. T C. 6: 35-47
Probing the structure of DNA-carbon nanotube hybrids with molecular dynamics (2008) RR Johnson, ATC Johnson, ML Klein Nano Letters 8 (1), 69-75
Large-scale molecular dynamics simulations of self-assembling systems (2008) ML Klein, W Shinoda Science 321: 798-800