chair@chem.ucla.edu.
Sequential and simultaneous ab initio molecular dynamics/Monte Carlo simulations applied to molecules, solids, and surfaces. Development of new treatments of electron correlation and massively parallel molecular quantum mechanics algorithms. Bonding and reactions of atomic clusters; etching and growth of metal and semiconductor surfaces.
William M. Gelbart - B.S., Harvard University; Ph.D., University of Chicago
Theory of light scattering and optical properties of simple fluids; orientational order in flexible polymers and liquid crystals; statistical thermodynamics of surfactant solutions, micro-emulsions, and interfaces; elastic and strength properties of composite materials.
Daniel Kivelson - A. B., M.S., PhD. Harvard University
Structure of molecular liquids and molecular theory of transport and relaxation phenomena in liquids, viscoelastic fluids, glasses and bilayers, dynamic light scattering in liquids, theory of chemical reactions in liquids, magnetic resonance and spin-relaxation.
Raphael D. Levine - M.Sc., The Hebrew University; PhD. Nottingham University
Dynamics of chemical reactions in the gas phase, in solution and of surfaces, with special reference to the energetic and steric requirements. Spectroscopy and dynamics of highly excited molecules including above the dissociation limit. The application of information theory and of algebraic techniques in chemical physics.
Howard Reiss - Ph.D., Columbia Universiry
Statistical mechanics of nucleation processes; structure and phase transitions in hard particle fluids; gas-phase polymerization; transport through membranes; theory of microemulsions and dispersed systems.
Daniel Neuhauser - M.Sc., PhD., California Institute of Technology
Quantum chemical dynamics; exact quantal solution of atom-molecule scattering dynamics with extensions to molecule-molecule reactions. Spectral approaches for determination of molecular bound-states. Real-time path integral methods. Approaches for controlling molecular motion with femtosecond and continuous-wave lasers. Extension of gas-phase quantum investigations to solutions and biologically important environments.
Protein structure, computational interpretation and determination of protein structures using semi-empirical methods, including 3D profiles, sequence profiles, atomic solvation parameters, and hydrophobic moments. Protein design.
Todd Yeates - B.S., Ph.D., University of California, Los Angeles
Three-dimensional structure and function of proteins by X-ray diffraction; computational analysis of macromolecules; analysis of protein surface geometry and problems of macromolecular recognition. Neural network and other approaches to the "phase-retrieval problem" in crystallography.
Applications of quantum mechanics to organic reaction mechanisms, organic stereoselectivities and drug design. Dynamics of fast reactions. Development of empirical force fields for transition states of synthetically useful reactions. Theory of organic reactivity and stereoselectivity.
Excited state processes in metal complexes including luminescence, photochemistry and photocatalysis; laser pump-probe studies of reactive organometallic intermediates; spectroscopic investigations of structure and bonding in transition metal complexes, single crystal polarized spectroscopy; resonance Raman spectroscopy; triboluminescense.
Empirical force fields; conformational analysis.
Orville L. Chapman - B. S., Virgnia Polytechnic Institute; Ph.D., Cornell University
Organic materials; educational computing and technology in education.
Robin L. Garrell - B.S., Cornell University, M.S., Ph.D., University of Michigan
Calculations of peptide conformations and peptide-surface interactions; calculation of vibrational spectra by ab initio methods to aid in the interpretation of experimental spectra.
Robert L. Scott - SB., larvard College; Ph.D., Princeton University
Calculations of binary fluid phase diagrams using phenomenological equations of state.