报告人：Julius Jellinek（第一性原理计算方面专家，美国Argonne National Laboratory）
地点：田家炳南楼205
I will present and discuss results of extensive quasiclassical trajectory studies of cluster molecule reactivity, which plays a central role in nanocatalysis. The effects of cluster size, structure, and temperature, as well as the initial rovibrational state of the molecule and the collision energy will be analyzed. Competing mechanisms of cluster-molecule reactions will be examined and characterized. The presentation will include computer-generated movies of the processes studied.
Julius Jellinek is a Senior Scientist in the Chemical Sciences and Engineering Division of Argonne National Laboratory and a Senior Fellow with the University of Chicago/Argonne Computation Institute. His main interests lie in the broad area of theory,modeling, and simulation of finite systems, in general, and atomic and molecular clusters and nanoparticles, in particular. His work has covered a wide range of properties of these systems, including their structural, thermal, phase change, electronic, magnetic, optical, dielectric, and chemical reactivity features as defined by their size and composition. The emphasis is on metal nanosystems, both homogeneous and alloy, as these are particularly relevant to many technological applications, including catalysis. He is the author of one book and has published over 160 journal articles and reviews.
Education
1969 Diploma with Distinction in Theoretical Physics (Equivalent to M.Sc.), Physics Department,
1969 - 1972 Aspirant (Ph.D. student) - Theoretical Particle Physics, Physics Department,
1983 Ph.D. in Chemical Physics, The Weizmann
Experience
1972 - 1976 Lecturer,
1983 - 1986 Weizmann Fellow/Research Associate, Department of Chemistry, The
1986 - 2005 In charge of the Theory Component in the Cluster Studies Group, Chemistry Division, Argonne National Laboratory
1986 - 1991 Assistant Scientist, Chemistry Division,
1991 - 1997 Scientist, Chemistry Division,
1997 � Present Senior Scientist, Chemistry Division,
2000 - 2005 Group Leader, Cluster Studies Group (experiment and theory), Chemistry
Division,
2006 - Present Senior Fellow, University of Chicago/Argonne Computation Institute
Honors and Awards
1980 Minerva Award, Minerva Foundation,
1981 The Dov Elad Distinction Award, The Weizmann Institute of
1983 � 1984 The Chaim Weizmann Fellowship, The Weizmann Foundation
2005 The
2007 Introductory Lecture, The Royal Society of Chemistry Faraday Discussion Meeting No138 on “Nanoalloys: From Theory to Application”,
2008 Research Excellence Award in Computational Physics, The European Society of Computational Methods in Science and Engineering
2010 Humboldt Research Award, Alexander von Humboldt Foundation,
2010 Fellow, American Physical Society
2011 The Humboldt Lecture, Fritz Haber Institute,
Publications About 160
Books: “Theory of Atomic and Molecular Clusters”, J. Jellinek (Ed.), Springer-Verlag,
Invited Talks: More than 200