From WikidChem

I'm not a chemist, physicist or applied mathematician but a Gaussian user.

Me with the other Batista.

This is me atop Wheeler Peak in New Mexico, the highest point in the state, 13,161 ft above sea level.

At the NERC, a chemistry softball tournament between a few colleges in the northeast.

Education

• BS in Chemistry and BA in Mathematics (Cum Laude)

University of Washington, Seattle, WA 2006

Publications

1. Kim EG, Coropceanu V, Gruhn NE, Sanchez-Carrera RS, Snoeberger R, Matzger AJ, Bredas JL, J. Am. Chem. Soc. 2007, 129, 13072-13081

2. J. Am. Chem. Soc. 130:14329-14338, 2008 Acetylacetonate anchors for robust functionalization of TiO2 nanoparticles with Mn(II)-terpyridine complexes, William R. McNamara,Robert C. Snoeberger III, Gonghu Li, James M. Schleicher, Clyde W. Cady, Macarena Poyatos, Charles A. Schmuttenmaer, Robert H. Crabtree, Gary W. Brudvig and Victor S. Batista.

3. Proc. SPIE 7034, 70340R, 2008 Characterization of Siloxane Adsorbates Covalently Attached to TiO2, Nobuhito Iguchi, Clyde Cady, Robert C. Snoeberger III, Bryan M. Hunter, Eduardo M. Sproviero, Charles A. Schmuttenmaer, Robert H. Crabtree, Gary W. Brudvig and Victor S. Batista.

4. Energy & Environ. Sci. 2:230-238 2009 Deposition of an Oxomanganese Water Oxidation Catalyst on TiO2 Nanoparticles: Computational Modeling, Assembly and Characterization, Gonghu Li, Eduardo M. Sproviero, Robert C. Snoeberger III, Nobuhito Iguchi, James D. Blakemore, Robert H. Crabtree, Gary W. Brudvig and Victor S. Batista.

5. Energy & Environ. Sci (submitted) 2009 Hydroxamate Anchors for Functionalization of Semiconductor Surfaces, William R. McNamara, Robert C. Snoeberger III, Gonghu Li, Christiaan Richter, Laura J. Allen, Rebecca L. Milot, Charles A. Schmuttenmaer, Robert H. Crabtree, Gary W. Brudvig, and Victor S. Batista.

Research Interests

Making Scientific Videos

Simulations of interfacial electron transfer:

• Photoexcited Rhodamine B on tin oxide.

Molecular Dynamics

• MD of Sulforhodamine B on tin dioxide with 2 nm of surface water.
• Equilibration to 300 K of Sulforhodamine B on tin dioxide with 2 monolayers of surface water.

Some stuff for Justin's HBT proton transfer project:

• HOMO orbital evolution
• LUMO orbital evolution
• Evolution of the difference between the excited state and ground state electron density.
• Evolution of the difference between time evolved excited state electron density with the excited state electron density at time = 0.

Quantum dynamics

Our insistence on a classical mechanical description of atomic motion is for practical reasons only. Considerable progress has been made in developing semiclassical and quantal theories of dynamical processes involving electronic transitions, and work in this area should definitely continue. In the present work we have more limited goals. -John C Tully

I want to continue the work.

Research Projects

Input file writing

Electron Dynamics of Interfacial Electron Transfer, Applied to Dye-sensitized Solar Cells

In this project, quantum dynamics simulations are used to study the transfer of a photoexcited electron from an adsorbed dye molecule to the conduction band of a semiconductor substrate. The simulations provide insight and timescales for the IET (interfacial electron transfer) process in various adsorbate/semiconductor systems.