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.

Dr. Julius Jellinek

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, Uzhgorod University, USSR

1969 - 1972      Aspirant (Ph.D. student) - Theoretical Particle Physics, Physics Department, Uzhgorod University, USSR

1983                   Ph.D. in Chemical Physics, The Weizmann Institute of Science, Rehovot, Israel

Experience

1972 - 1976        Lecturer, Uzhgorod University

1976                   Immigrated to Israel

1980 - 1981     Teaching Assistant, Department of Chemical Physics, The Weizmann Institute of Science, Rehovot, Israel

1983 - 1986      Weizmann Fellow/Research Associate, Department of Chemistry, The University of Chicago

1986 -  2005     In charge of the Theory Component in the Cluster Studies Group, Chemistry Division, Argonne National Laboratory

1986 - 1991  Assistant Scientist, Chemistry Division, Argonne National Laboratory

1991 - 1997  Scientist, Chemistry Division, Argonne National Laboratory

1997 � Present         Senior Scientist, Chemistry Division, Argonne National Laboratory

2000 - 2005    Group Leader, Cluster Studies Group (experiment and theory), Chemistry  

                           Division, Argonne National Laboratory

2006 - Present   Senior Fellow, University of Chicago/Argonne Computation Institute

Honors and Awards

1980                  Minerva Award, Minerva Foundation, Germany

1981                  The Dov Elad Distinction Award, The Weizmann Institute of Science, Israel

1983 � 1984      The Chaim Weizmann Fellowship, The Weizmann Foundation

2005                   The University of Chicago Award and Medal for Distinguished Performance at the Argonne National Laboratory

2007                  Introductory Lecture, The Royal Society of Chemistry Faraday Discussion Meeting No138 on “Nanoalloys: From Theory to Application”, Birmingham, UK

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, Germany

2010                   Fellow, American Physical Society

2011                   The Humboldt Lecture, Fritz Haber Institute, Berlin, Germany

Publications      About 160

Books:                        “Theory of Atomic and Molecular Clusters”, J. Jellinek (Ed.), Springer-Verlag, Heidelberg, (1999), pp. 1-429

Invited Talks:   More than 200