个人简介

Professor Schwartz joined the faculty at UCLA in 1997, after which he established a research program aimed at building a molecular-level picture of chemical reaction dynamics in the condensed phase. The Schwartz group is one of the few pursing both experimental and theoretical approaches to solving chemical reaction dynamics problems. The experimental techniques focus largely on femtosecond spectroscopies, and particularly 3-pulse pump-probe experiments that allow for direct examination of transient species such as the excited states of conjugated polymers or reactive solvated atoms and electrons. The theoretical techniques include both the development and application of new algorithms for dealing with the breakdown of the Born-Oppenheimer approximation in mixed quantum/classical simulations and the development of new methods for deriving the pseudopoentials used in such simulations. Prof. Schwartz has served as the department's curriculum committee chair from 2003-2005 and has been serving as the department's graduate advisor since 2005; Prof. Schwartz was also the department's elected representative to the College Faculty Executive Committee from 2003-2007. Prof. Schwartz is also currently a Senior Editor for the Journal of Physical Chemistry, and serves on the advisory boards of several other journals. Prof. Schwartz has authored over 100 refereed publications during his career.

研究领域

Physical/Nanoscience/Materials/Theory

Research in the Schwartz group is aimed a building a molecular-level understanding of chemical reactivity in complex environments by studying condensed-phase chemical reaction dynamics using both experimental and theoretical techniques: femtosecond laser spectroscopies and mixed quantum/classical molecular dynamics simulations. Projects fall into two main areas: studies of how solvent motions control the rates and even the choice of products in solution-phase chemical reactions, and investigations into the electronic structure and optoelectronic behavior of semiconducting conjugated polymers. Our first main area centers on solvent effects on chemical reactivity. We use femtosecond pump-probe spectroscopies to experimentally monitor the course of solution-phase chemical reactions in real time, allowing us to "watch" the motions of solvent molecules responding to chemical changes of reacting solutes, monitor the flow of energy between reacting species and the solvent, and identify the motion of electrons during charge transfer reactions. These experiments are accompanied by computer simulations, which make use of sophisticated algorithms allowing for quantum dynamics in the absence of the Born-Oppenheimer approximation (see Figure 1). Projects range from studies of model systems such as solvated metal anions or solvated electrons to investigations of large organic molecules with complex photochemistry. Simulations are done in close connection to the femtosecond experiments, so that experimental results drive new simulations and vice-versa, providing students in the group with an opportunity to do both experimental and theoretical work.

近期论文

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J. R. Casey, R. E. Larsen and B. J. Schwartz Resonance Raman and Temperature-Dependent Electronic Absorption Spectra of Cavity and Non-Cavity Models of the Hydrated Electron Proc. Nat. Acad. Sci. USA 110(8), 2712-7 (2013). J. C. Aguirre, C. Arnsten, S. Hernandez, R. Huber, A. M. Nardes, M. Halim, D. Kilbride, Y. Rubin, S. H. Tolbert, N. Kopidakis, B. J. Schwartz and D. Neuhauser Understanding Local and Macroscopic Electron Mobilities in the Fullerene Network of Conjugated Polymer-Based Solar Cells: Time-Resolved Microwave Conductivity and Theory Adv. Funct. Mater. doi: 10.1002/adfm.201301757, 1-9 (2013). S. C. Doan and B. J. Schwartz, Nature of Excess Electrons in Polar Fluids: Anion-Solvated Electron Equilibrium and Polarized Hole-Burning in Liquid Acetonitrile," J. Phys. Chem. Lett. 4, 1471-6 (2013). A. L. Ayzner, S. C. Doan, B. Tremolet de Villers and B. J. Schwartz Ultrafast Studies of Exciton Migration and Polaron Production in Sequentially Solution-Processed Conjugated Polymer/Fullerene Quasi-Bilayer Photovoltaics J. Phys. Chem. Lett. 3, 2281-7 (2012). A. E. Bragg, G. U. Kanu and B. J. Schwartz Nanometer-Scale Phase Separation and Preferential Solvation in THF-Water Mixtures: Ultrafast Electron Hydration and Recombination Dynamics Following CTTS Excitation of I¯ J. Phys. Chem. Lett. 2, 2797-2804 (2011). R. E. Larsen, W. J. Glover and B. J. Schwartz Does the Hydrated Electron Occupy a Cavity?, Science 329, 65 (2010). See also the Technical Comments on this manuscript and our Response (Science 331, 1387-e (2011)). A. E. Bragg, W. J. Glover and B. J. Schwartz Watching the Solvation of Atoms in Liquids One Solvent Molecule at a Time," Phys. Rev. Lett. 104, 233005, 1-4 (2010).