Theory and Applications of Computational Chemistry / sdarticlebio

Biographical sketches of contributors	1243
Han Myoung Lee was born in 1969, in
Iksan, Korea. After obtaining his under-
graduate, master’s and Ph. D. degrees from
WonKwang University, he joined Pro-
fessor Kim’s group in Pohang in 1997.
During his stay in Pohang, he had been
involved in detailed theoretical investi-
gations of aqueous and metal clusters. He
has also worked on nanoclusters and
nanoelectronic/nanophotonic devices. He
is currently a Research Assistant Professor
at the Center for Superfunctional Materials
and a Visiting Scientist at the Pacific
Northwest National Laboratory in Rich-
mond, U.S.A.	Han Myoung Lee

Matthias Lein received his Ph.D. in chemistry in 2004 under the supervision of Gernot Frenking at the Fachbereich Chemie der Universita¨t Marburg in Germany. He currently works as a Marsden Postdoctoral Research Fellow with Peter Schwerdtfeger at Massey University in Auckland, New Zealand.

Matthias Lein

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Uttam Sinha Mahapatra received his M.Sc. degree in physics in 1992 from the University of Kalyani, India and Ph.D. degree in 2000 for his work on molecular electronic structure with Debashis Mukherjee. In 2001, he joined Lorenz Cederbaum’s group at the Theoretische Chemie, University of Heidelberg, Germany with a fellowship of the Alexander von Humboldt Foundation. Presently, he is a faculty of the Department of Physics, Darjeeling Government College, India. His research interests include development of theories of structure and dynamics of atomic and molecular relativistic and non-relativistic many, body theories and their application to chemically interesting systems and study of weak interactions in atoms.

J. Andrew McCammon holds the Joseph E. Mayer Chair of Theoretical Chemistry at the University of California, San Diego (UCSD), and is an Investigator of the Howard Hughes Medical Institute. He received his Ph.D. in chemical physics in 1976 from Harvard University, where he worked with John Deutch on biological applications of statistical mechanics and hydrodynamics. In 1976–1978, he was a Research Fellow at Harvard, where he developed the computer simulation approach to protein dynamics in collaboration with Martin Karplus. He was an Assistant Professor and then M.D. Anderson Professor (1981–1994) at the University of Houston before moving to UCSD. He recalls with pleasure the first views of atomic dynamics in a protein molecule, generated slowly on a pen plotter during his postdoctoral work.

Biographical sketches of contributors

Uttam Sinha Mahapatra

J. Andrew McCammon

Biographical sketches of contributors

Yifat Miller received her M.Sc. in chemistry in 2002 working under the supervision of Professor R.B. Gerber at the Hebrew University of Jerusalem, Israel, and is currently a Ph.D. student in the same group. Her fields of research are: vibrational spectroscopy and reaction dynamics of atmospherically relevant molecules.

Keiji Morokuma received his Ph.D. in chemistry in 1963 working under the direction of Kenichi Fukui at Kyoto University. After postdoctoral work with Martin Karplus at Columbia and Harvard, he joined the faculty of the University of Rochester in 1967. In 1977, he moved to the Institute for Molecular Science at Okazaki, Japan to head the theoretical department and computer center. In 1993 he joined the faculty of Emory University, Atlanta, GA, where he is currently William Henry Emerson Professor and Director of Cherry L. Emerson Center for Scientific Computation. He is presently President of the International Academy of Quantum Molecular Science.

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Y. Miller

Keiji Morokuma

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Shaul Mukamel, the Chancellor Professor of Chemistry at the University of California, Irvine, received his Ph.D. in 1976 from Tel Aviv University, followed by postdoctoral appointments at MIT and the University of California at Berkeley and faculty positions at Rice Univeristy, the Weizmann Institute and at the University of Rochester. He has been the recipient of the Sloan, Dreyfus, Guggenheim, Alexander von Humboldt Senior Scientist and the Lippincott awards. He is a Fellow of American Physical Society and of the Optical Society of America. His research interests in theoretical chemical physics and biophysics include: developing a Liouville-space quasiparticle approach to femtosecond spectroscopy and to many, body theory of electronic and vibrational excitations of molecules, molecular aggregates, nanostructures and semiconductors; designing optical and infrared pulse sequences for probing structure and folding dynamics of proteins by multidimensional coherent spectroscopies, non-linear X-ray and single molecule spectroscopy; photon statistics; electron transfer and energy funelling in photosynthetic complexes and dendrimers. He is the author of the textbook, Principles of Nonlinear Optical Spectroscopy (Oxford University Press), 1995.

Biographical sketches of contributors

Shaul Mukamel

Biographical sketches of contributors

Debashis Mukherjee is a Professor of Physical Chemistry and the Director of the Indian Association for the Cultivation of Science, Calcutta, India. He has been one of the earliest developers of a class of multi-reference coupled cluster theories and also of the coupled cluster based linear response theory. Other contributions by him are in the resolution of the sizeextensivity problem for multi-reference theories using an incomplete model space and in the size-extensive intermediate Hamiltonian formalism. His research interests focus on the development and applications of non-relativistic and relativistic theories of many-body molecular electronic structure and theoretical spectroscopy, quantum many-body dynamics and statistical field theory of many-body systems. He is a member of the International Academy of the Quantum Molecular Science, a Fellow of the Third World Academy of Science, the Indian National Science Academy and the Indian Academy of Sciences. He is the recipient of the Shantiswarup Bhatnagar Prize of the Council of Scientific and Industrial Research of the Government of India.

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Debashis Mukherjee

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Shigeru Nagase received his Ph.D. degree in chemistry in 1975 under the direction of Professor T. Fueno from Osaka University in Japan. After he did postdoctoral work at the University of Rochester (Professor K. Morokuma) and at the Ohio State University (Professor C. W. Kern), he joined the faculty of Yokohama National University as Associate Professor in 1980, and he became Professor in 1991. In 1995 he moved to Tokyo Metropolitan University. Since April 2001, he has been a Professor of Theoretical Chemistry at the Institute for Molecular Science. His current interests include the theoretical and computational studies of large molecular systems.

Takahito Nakajima received his Ph.D. in chemistry in 1997 working under the direction of Hiroshi Nakatsuji at Kyoto University. He then joined the Department of Applied Chemistry at the University of Tokyo in 1999. He is an Associate Professor at the Department of Applied Chemistry, the University of Tokyo. He is also a researcher of PRESTO, Japan Science and Technology Corporation (JST). His current research interests include the developments of the relativistic molecular theory and the quantum chemical approach towards large-scale calculations.

Biographical sketches of contributors

Shigeru Nagase

Takahito Nakajima

Biographical sketches of contributors

Haruyuki Nakano received his Ph.D. in chemistry in 1993 working under the direction of Professor Shigeki Kato at Kyoto University. He then joined the faculty of the University of Tokyo. In 2003, he moved to Kyushu University at Fukuoka, where he is now Professor of Theoretical Chemistry.

Hiroshi Nakatsuji received his Ph.D. (Engineering) in 1971 at Kyoto University. Since 1990, he has been a Professor at Department of Synthetic Chemistry and Biological Chemistry in Kyoto University. He is a member of International Academy of Quantum Molecular Science. He is also a Director of Fukui Institute for Fundamental Chemistry of Kyoto University.

¨

Yngve Ohrn earned his Doctor of Philosophy degree in 1966 working in the Quantum Chemistry Group at Uppsala University, Sweden under the direction of Per-Olov Lo¨win. The numerical work at that time was attempted on an ALWAC III E computer. The same year he joined the faculty of the Departments of Chemistry and Physics at the University of Florida, where he has been since then as a Member and Director (1983–1998) of the QTP, an Institute for Theory and Computation in Molecular and Materials Sciences.

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Haruyuki Nakano

H. Nakatsuji

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Yngve Ohrn

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Massimo Olivucci, Ph.D., is Professor of Organic Chemistry at the University of Sienna, Italy. He took his Ph.D. in 1989 with F. Bernardi and from 1989 to 1991 he carried out research work with M.A. Robb at King’s College London. As documented by over 130 research papers his research focuses on the investigation of the photochemistry of organic and biological chromophores using computational tools. In 1999 he was awarded the Premio Nazionale “FEDERCHIMICA”. He was one of the finalists of the 2001 edition of the EU Descartes Prize and in 2004, he was awarded the “Premio alla Ricerca” of the Organic Chemistry Division of the Italian Chemical Society.

Dola Pahari received her M.Sc. degree in chemistry in 2000 from the Indian Institute of Technology, Kanpur, India. She is doing Ph.D. on the development and applications of molecular electronic structure theory under the supervision of Debashis Mukherjee. She is interested in developing spinadapted state-specific many-body theories.

Biographical sketches of contributors

Massimo Olivucci

Dola Pahari

Biographical sketches of contributors

Josef (Joe) Paldus defended his M.Sc. Thesis in 1958 at the Charles University in Prague, supervised by V. Hanus and J. Koutecky, and the latter also supervised his Ph.D. Thesis, defended in 1961 at the Czechoslovak Academy of Sciences. He did his postdoctoral studies with D.A. Ramsay at the National Research Council in Ottawa. After emigrating to Canada in 1968 he joined the Department of Applied Mathematics of the University of Waterloo and later also its Chemistry Department and Guelph-Waterloo Center for Graduate Work in Chemistry. Since his obligatory retirement in 2001 he continues his research as a Distinguished Professor Emeritus. He became a Fellow of the Royal Society of Canada in 1983, a Member of the International Academy of Quantum Molecular Sciences a year later and, most recently, a Fellow of the Fields Institute for Research in Mathematical Sciences.

Jiri Pittner was born in 1968 in Plzen, Czech Republic. He received his master’s degree in physical chemistry in 1991 from the Charles University Prague and his Ph.D. in chemistry in 1996 from the Humboldt University Berlin under the direction of V. Bonacic-Koutecky. In 1997 he joined the J. Heyrovsky Institute of Physical Chemistry (Academy of Sciences of the Czech Republic).

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Josef Paldus

Jiri Pittner

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Professor Rabitz’s research interests lie at the interface of chemistry, physics and engineering, with principal areas of focus including molecular dynamics, biophysical chemistry, chemical kinetics and optical interactions with matter. An overriding theme throughout his research is the emphasis on molecular scale systems analysis. Professor Rabitz has over 635 publications in the general area of chemical physics. He has been pursuing research in the control of quantum systems since 1986.

Krishnan Raghavachari received his Ph.D. in 1981 from Carnegie-Mellon University working with Professor John A. Pople on the development and applications of electron correlation techniques in Computational Quantum Chemistry. He then joined Bell Laboratories in Murray Hill, New Jersey, as a Research Scientist. He received the Distinguished Researcher award at Bell Laboratories in 1987. He joined Indiana University as a Professor of Chemistry in 2002. His work covers a broad spectrum of problems ranging from chemical bonding in small clusters to computational investigations of semiconductor and nanoscale materials. He is the author of over 250 papers in Chemistry, Physics and Materials Science. He was elected as a Fellow of the American Physical Society in 2001. He is among the 50 most cited authors in chemistry in the comprehensive period from 1981 to 1997.

Biographical sketches of contributors

Herschel Rabitz

Krishnan Raghavachari