Andrew J. Medford

Graduate Student

Phone: 
(650) 926-2502

I am interested in understanding trends in activity and selectivity of synthesis gas conversion using computational methods. Initial work has focused on modeling methane, methanol, and ethanol synthesis from CO and H2 using a combination of density functional theory (DFT) and micro-kinetic modeling. More generally, I am interested in developing automated schemes for reaction analysis and uncertainty quantification in kinetic modeling. I developed the Catalysis Micro-kinetic Analysis Package (CatMAP) in order to automate the process of creating and solving micro-kinetic models, and have made this software available online (www.github.com/ajmedford/catmap). My work at SUNCAT focuses on applying this and other tools in order to provide fundamental understanding and make robust predictions about trends in catalytic activity and selectivity.

Publications

From the Sabatier Principle to a Predictive Theory of Transition Metal Heterogeneous Catalysis. Andrew J. Medford, Aleksandra Vojvodic, Johannes Voss, Frank Abild-Pedersen, Felix Studt, Thomas Bligaard, Anders Nilsson, Jens K. Nørskov. Journal of Cataysis, 328, 36-42. 2015. CatMAP: A Software Package for Descriptor-Based Microkinetic Mapping of Catalytic Trends. Andrew J. Medford, Chuan Shi, Max J. Hoffmann, Adam C. Lausche, Sean R. Fitzgibbon, Thomas Bligaard, Jens K. Nørskov. Catalysis Letters, 145, 794-807. 2015.
Assessing the reliability of calculated catalytic ammonia synthesis rates. Andrew J. Medford, Jess Wellendorff, Aleksandra Vojvodic, Felix Studt, Frank Abild-Pedersen, Karsten W. Jacobsen, Thomas Bligaard, Jens K. Nørskov. Science, 345, 197-200. 2014. Departures from the Adsorption Energy Scaling Relations for Metal Carbide Catalysts. Ronald Michalsky, Yin-Jia Zhang, Andrew J. Medford, Andrew A. Peterson. The Journal of Physical Chemistry C, 118, 13026-13034. 2014.
Methanol-to-hydrocarbons conversion: The alkene methylation pathway. Rasmus Y. Brogaarda, Reynald Henry, Yves Schuurman, Andrew J. Medford, Poul Georg Moses, Pablo Beato, Stian Svelle, Jens K. Nørskov, Unni Olsbye. Journal of Catalysis, 314, 159-169. 2014. High Pressure CO Hydrogenation Over Bimetallic Pt-Co Catalysts. Jakob M. Christensen, Andrew J. Medford, Felix Studt, Anker D. Jensen. Catalysis Letters, 144, 777-782. 2014.
Exploring the limits: A low-pressure, low-temperature Haber-Bosch process. Aleksandra Vojvodic, Andrew James Medford, Felix Studt, Frank Abild-Pedersen, Tuhin Suvra Khan, Thomas Bligaard, Jens K. Nørskov. Chemical Physics Letters, 598, 108-112. 2014. Thermochemistry and micro-kinetic analysis of methanol synthesis on ZnO (0001). Andrew J. Medford, Jens Sehested, Jan Rossmeisl, Ib Chorkendorff, Felix Studt, Jens K. Nørskov, Poul Georg Moses. Journal of Catalysis, 309, 397-407. 2014.
On the effect of coverage-dependent adsorbate-adsorbate interactions for CO methanation on transition metal surfaces. Adam C. Lausche, Andrew J. Medford, Tuhin S. Khan, Yue Xu, Thomas Bligaard, Frank Abild-Pedersen, Jens K. Nørskov, Felix Studt . Journal of Catalysis, 307, 275-282. 2013. Activity and Selectivity Trends in Synthesis Gas Conversion to Higher Alcohols. Andrew J. Medford, Adam C. Lausche, Frank Abild-Pedersen, Burcin Temel, Niels C. Schjødt, Jens K. Nørskov, Felix Studt. Topics in Catalysis, 57, 135-142. 2014.