| CatMAP: a software package for descriptor-based microkinetic mapping of catalytic trends AJ Medford, C Shi, MJ Hoffmann, AC Lausche, SR Fitzgibbon, T Bligaard, ... Catalysis Letters 145, 794-807, 2015 | 438 | 2015 |
| Catalysis-Hub. org, an open electronic structure database for surface reactions KT Winther, MJ Hoffmann, JR Boes, O Mamun, M Bajdich, T Bligaard Scientific data 6 (1), 75, 2019 | 255 | 2019 |
| kmos: A lattice kinetic Monte Carlo framework MJ Hoffmann, S Matera, K Reuter Computer Physics Communications 185 (7), 2138-2150, 2014 | 133 | 2014 |
| In Situ X-Ray Photoelectron Spectroscopy of Model Catalysts: At the Edge of the Gap S Blomberg, MJ Hoffmann, J Gustafson, NM Martin, VR Fernandes, ... Physical Review Letters 110 (11), 117601, 2013 | 132 | 2013 |
| Evidence for the active phase of heterogeneous catalysts through in situ reaction product imaging and multiscale modeling S Matera, S Blomberg, MJ Hoffmann, J Zetterberg, J Gustafson, ... ACS Catalysis 5 (8), 4514-4518, 2015 | 52 | 2015 |
| CO Oxidation on Pd(100) Versus PdO(101)-: First-Principles Kinetic Phase Diagrams and Bistability Conditions MJ Hoffmann, K Reuter Topics in Catalysis 57, 159-170, 2014 | 45 | 2014 |
| Multi-lattice kinetic Monte Carlo simulations from first principles: Reduction of the Pd (100) surface oxide by CO MJ Hoffmann, M Scheffler, K Reuter ACS Catalysis 5 (2), 1199-1209, 2015 | 39 | 2015 |
| Understanding zeolite-catalyzed benzene methylation reactions by methanol and dimethyl ether at operating conditions from first principle microkinetic modeling and experiments K De Wispelaere, JS Martinez-Espin, MJ Hoffmann, S Svelle, U Olsbye, ... Catalysis Today 312, 35-43, 2018 | 35 | 2018 |
| A lattice kinetic monte carlo solver for first-principles microkinetic trend studies MJ Hoffmann, T Bligaard Journal of chemical theory and computation 14 (3), 1583-1593, 2018 | 31 | 2018 |
| Bottom‐Up Design of a Copper–Ruthenium Nanoparticulate Catalyst for Low‐Temperature Ammonia Oxidation D Chakraborty, CD Damsgaard, H Silva, C Conradsen, JL Olsen, ... Angewandte Chemie 129 (30), 8837-8841, 2017 | 31 | 2017 |
| Framework for Scalable Adsorbate–Adsorbate Interaction Models MJ Hoffmann, AJ Medford, T Bligaard The Journal of Physical Chemistry C 120, 24, 2016 | 31 | 2016 |
| A practical approach to the sensitivity analysis for kinetic Monte Carlo simulation of heterogeneous catalysis MJ Hoffmann, F Engelmann, S Matera The Journal of Chemical Physics 146 (4), 2017 | 23 | 2017 |
| CO oxidation on palladium using multi-lattice kinetic Monte Carlo MJ Hoffmann Freie Universität Berlin, 2010 | 3 | 2010 |
| Catalysis-hub. org: An open electronic structure database for surface reactions and catalytic materials K Winther, M Hoffmann, O Mamun, J Boes, M Bajdich, T Bligaard ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | 1 | 2019 |
| CatMAP AJ Medford, C Shi, M Hoffmann SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States), 2023 | | 2023 |
| First-principles Multi-scale Simulations of Dynamic Catalyst Surfaces: CO Oxidation from Palladium Surface Oxide to Palladium Metal MJ Hoffmann Technische Universität München, 2014 | | 2014 |
| CO Oxidation on Pd (100) Versus PdO (101)-(5× 5) R 27∘: First-Principles Kinetic Phase Diagrams and Bistability Conditions MJ Hoffmann, K Reuter Topics in Catalysis 1 (57), 159-170, 2014 | | 2014 |
| Multi-lattice approach to first-principles kinetic Monte Carlo simulations: Application to catalytic CO oxidation at Pd (100) M Hoffmann, M Scheffler, K Reuter APS March Meeting Abstracts 2012, P5. 002, 2012 | | 2012 |
Thomas BligaardProfessor DTU Energy在 dtu.dk 的电子邮件经过验证