 | Phillip R.
Westmoreland, Department of Chemical Engineering, University of
Massachusetts Amherst (Panel Chair) | Measurement and quantum
modeling of elementary-reaction kinetics in flames, PECVD plasmas, polymer
decomposition, and homogeneous catalysis; founding chair of AIChE Computational Molecular Science and
Engineering Forum; co-chair of 1998 and 2001 AIChE Topical Conference and FOMMS 2000
|
 |
Peter A.
Kollman (1944-2001), Department of
Pharmaceutical Chemistry, University of California San Francisco
(Panel Vice-Chair) |
Computational approaches to
understand structure, energies and reactions of organic and biochemical
molecules; developer of the
AMBER force
fields; member of
UCSF Molecular Design
Institute |
 |
Anne
M. Chaka, Lubrizol during the study; now Group Leader for Computational Chemistry at NIST |
Industrial chlorination,
catalysis, automotive lubricant additives using computational chemistry;
Max-Planck-Society Fellowship, 1999-2000
(Fritz-Haber-Institut
(FHI) with Matthias
Scheffler)
|
 |
Peter
Cummings,
Department of Chemical Engineering, University of Tennessee, and Chemical
Technology Division, Oak Ridge National Laboratory |
Molecular simulations for phase equilibrium and rheological
properties; parallel
supercomputing; co-chair of 1998 AIChE Topical Conference
and FOMMS 2000;
will be in Tarragona Spain or Melbourne Australia through the summer |
 | Keiji
Morokuma, Department of Chemistry, Emory University |
Computational quantum chemistry and layered QC/molecular mechanics for
small molecules to solvated homogeneous catalysts; parallel supercomputing;
former head of Theoretical Chemistry at the Institute of Molecular Science in Okazaki
Japan; director of the Cherry L.
Emerson Center for Scientific Computation
|
 | Matt
Neurock, Department of Chemical Engineering, University of
Virginia | Density functional theory and molecular simulations for
heterogeneous catalysis |
 | Ellen
B. Stechel, Manager, Chemistry Department (during the study), Ford
Motor Company | Computational materials chemistry and physics,
high-performance parallel computing; ceramics, ferroelectrics, carbon,
semiconductors; formerly at Sandia National Laboratories, Albuquerque;
former chair of ACS Division of Physical Chemistry; Senior Editor of the
Journal of Physical Chemistry; Secretary-General Elect, ACS
Materials Chemistry Secretariat; and a coordinator of the Computational Materials
Sciences Network.
|
 |
Priya
Vashishta, Department of Physics and Astronomy and Department of
Computer Science,
Louisiana State University (aided by Rajiv K.
Kalia and Aiichiro
Nakano, all of the Concurrent
Computing Laboratory for Materials Simulations) |
Computational material physics; development
and use of algorithms for very-large-scale simulations; mechanical
behavior of glasses, ceramics, & nanophase composites; previously at
Argonne National Laboratory
|
