Papers

A framework for scalable adsorbateadsorbate interaction models Max J Hoffmann, Andrew Medford, Thomas Bligaard The Journal of Physical Chemistry C (2016, accepted) DOI 

Evidence for the Active Phase of Heterogeneous Catalysts through In Situ Reaction Product Imaging and Multiscale Modeling Matera, Sebastian and Blomberg, Sara and Hoffmann, Max and Zetterberg, Johan and Gustafson, Johan and Lundgren, Edvin and Reuter, Karsten ACS Catalysis (2015) DOI  ArXiV

CatMAP: A Software Package for DescriptorBased Microkinetic Mapping of Catalytic Trends. Medford, Andrew J and Shi, Chuan and Hoffmann, Max J and Lausche, Adam C and Fitzgibbon, Sean R and Bligaard, Thomas and NÃ¸rskov, Jens K Catalysis Letters (2015) DOI 

Multilattice Kinetic Monte Carlo Simulations from First Principles: Reduction of the Pd(100) Surface Oxide by CO Max Hoffmann, Matthias Scheffler, Karsten Reuter ACS Catalysis (2015/1/7) DOI  ArXiV

CO Oxidation on Pd (100) Versus PdO (101)( sqrt {5} times sqrt {5}) R27^{ circ}: FirstPrinciples Kinetic Phase Diagrams and Bistability Conditions Max J Hoffmann, Karsten Reuter Topics in Catalysis (2014/2/1) DOI  ArXiV

kmos: A lattice kinetic Monte Carlo framework Max J Hoffmann, Sebastian Matera, Karsten Reuter Computer Physics Communications (2014/7/31) DOI  ArXiV

In situ Xray photoelectron spectroscopy of model catalysts: At the edge of the gap S Blomberg, MJ Hoffmann, J Gustafson, NM Martin, VR Fernandes, A Borg, Z Liu, R Chang, S Matera, K Reuter, E Lundgren Physical Review Letters (2013/3/12) DOI  ArXiV