Washington University in St. Louis


Cynthia Lo

Professor Lo came to Washington University in 2007 from the National Institute of Standards and Technology, where she was a post-doctoral researcher. She currently teaches courses in statistical thermodynamics and kinetics, computational chemistry of molecular and nanoscale systems, and transport phenomena.

In the Department of Energy, Environmental & Chemical Engineering, Professor Lo brings her expertise in molecular modeling with applications in advanced materials, aqueous systems, and renewable energy.
Professor Lo uses electronic structure calculations and molecular dynamics simulations to study the structure and reactivity of molecular and nanoscale systems for solar energy utilization. Some applications of current interest include bio-hybrid solar cells, photosynthesis, transparent conducting oxides for photovoltaic and thermoelectric applications, and multifunctional heterogeneous catalysts and photocatalysts. In addition, Professor Lo is interested in developing multiscale computational methods that link existing methods across time and length scales in order to model complex chemical systems.
Selected Publications
Kovács, S. Á., Lo, C. S. "Electronic structure and charge ordering in magnetite: implications for the Fe3O4 (001)-water interface", Mol. Simulat., 36, 1289-1296 (2010).
Zheng, X., Veith, G. M., Redekop, E., Lo, C. S., Yablonsky, G. S., Gleaves, J. T. "Oxygen and CO Adsorption on Au/SiO2 Catalysts Prepared by Magnetron Sputtering: The Role of Oxygen Storage", Ind. Eng. Chem. Res., 49, 10428-10437 (2010).
Unrau, C. J., Axelbaum, R. L., Lo, C. S. "High-yield growth of carbon nanotubes on composite Fe/Si/O nanoparticle catalysts: A Car-Parrinello molecular dynamics and experimental study", J. Phys. Chem. C., 114, 10430-10435 (2010).
Rycenga, M., Wang, Z., Gordon, E., Cobley, C. M., Schwartz, A. G., Lo, C. S., Xia, Y. "Probing the Photothermal Effect of Gold-Based Nanocages with Surface-Enhanced Raman Scattering (SERS)", Angew. Chem. Int. Ed., 48, 9924-9927 (2009).
Thimsen, E., Biswas, S., Lo, C. S., Biswas, P. "Predicting the Band Structure of Mixed Transition Metal Oxides: Theory and Experiment", J. Phys. Chem. C., 113, 2014-2021 (2009).
Selected Research
5 yrs, $20,000,000, DOE
“Photosynthetic Antenna Research Center”
3 yrs, $270,000, Consortium for Clean Coal Utilization, Washington University
“Integrated Nanoscale Catalysts for the Conversion of CO2 to Chemicals and Fuels”
3 yrs, $45,000, 3M Non-Tenured Faculty Grant
“Computational Design of New Transparent Conducting Oxides”
1 yr, $38,000, International Center for Advanced Renewable Energy and Sustainability, Washington University
“High-efficiency photovoltaic devices: Integration of photosynthetic antenna complexes with dye-sensitized solar cells”
Contact Cynthia Lo
Address 1 Brookings Drive
Campus Box 1180
City/St/Zip St. Louis, MO 63130

Brauer Hall, Room 3005

Phone (314) 935-8055
Fax (314) 935-5464
Email clo@wustl.edu
Other Appt.

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Download CV (pdf)

PhD, Massachusetts Institute of Technology, 2005
MS, Massachusetts Institute of Technology, 2001
BS, University of California-Berkeley, 1999
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