| The atomic simulation environment—a Python library for working with atoms AH Larsen, JJ Mortensen, J Blomqvist, IE Castelli, R Christensen, ... Journal of Physics: Condensed Matter 29 (27), 273002, 2017 | 3843 | 2017 |
| Genetic algorithms for computational materials discovery accelerated by machine learning PC Jennings, S Lysgaard, JS Hummelshøj, T Vegge, T Bligaard NPJ Computational Materials 5 (1), 46, 2019 | 200 | 2019 |
| Low-scaling algorithm for nudged elastic band calculations using a surrogate machine learning model JA Garrido Torres, PC Jennings, MH Hansen, JR Boes, T Bligaard Physical review letters 122 (15), 156001, 2019 | 175 | 2019 |
| A DFT study of oxygen dissociation on platinum based nanoparticles PC Jennings, HA Aleksandrov, KM Neyman, RL Johnston Nanoscale 6 (2), 1153-1165, 2014 | 76 | 2014 |
| Theoretical studies of Pt–Ti nanoparticles for potential use as PEMFC electrocatalysts PC Jennings, BG Pollet, RL Johnston Physical chemistry chemical physics 14 (9), 3134-3139, 2012 | 46 | 2012 |
| O2 Dissociation on M@Pt Core–Shell Particles for 3d, 4d, and 5d Transition Metals P Jennings, H Aleksandrov, K Neyman, R Johnston J. Phys. Chem. C 119 (20), 11031–11041, 2015 | 43 | 2015 |
| An atomistic machine learning package for surface science and catalysis MH Hansen, JAG Torres, PC Jennings, Z Wang, JR Boes, OG Mamun, ... arXiv preprint arXiv:1904.00904, 2019 | 33 | 2019 |
| Decoupling strain and ligand effects in ternary nanoparticles for improved ORR electrocatalysis PC Jennings, S Lysgaard, HA Hansen, T Vegge Physical Chemistry Chemical Physics 18 (35), 24737-24745, 2016 | 31 | 2016 |
| Structures of small Ti-and V-doped Pt clusters: A GA-DFT study PC Jennings, RL Johnston Computational and Theoretical Chemistry 1021, 91-100, 2013 | 31 | 2013 |
| DFT studies of oxygen dissociation on the 116-atom platinum truncated octahedron particle PC Jennings, HA Aleksandrov, KM Neyman, RL Johnston Physical Chemistry Chemical Physics 16 (48), 26539-26545, 2014 | 28 | 2014 |
| Electronic properties of Pt–Ti nanoalloys and the effect on reactivity for use in PEMFCs PC Jennings, BG Pollet, RL Johnston The Journal of Physical Chemistry C 116 (29), 15241-15250, 2012 | 27 | 2012 |
| Molecular dynamics simulations of ternary PtxPdyAuz fuel cell nanocatalyst growth P Brault, C Coutanceau, PC Jennings, T Vegge, J Berndt, A Caillard, ... International Journal of Hydrogen Energy 41 (47), 22589-22597, 2016 | 12 | 2016 |
| A comparison of paraxial and viscous silent boundary methods in finite element analysis MF Cohen, TJR Hughes, PC Jennings Joint ASME/ASCE Mechanics Conference, University of Colorado, Boulder …, 1981 | 6 | 1981 |
| Computational studies of mono-and bimetallic nanoclusters for potential polymer electrolyte fuel cell applications PC Jennings University of Birmingham, 2014 | 2 | 2014 |
| An Atomistic Machine Learning Package for Surface Science and Catalysis M Hangaard Hansen, JA Garrido Torres, PC Jennings, Z Wang, JR Boes, ... arXiv e-prints, arXiv: 1904.00904, 2019 | | 2019 |
| Accelerating ab initio simulation using surrogate machine learning models JAG Torres, P Jennings, M Hansen, T Bligaard ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |
| Machine Learning Accelerated Genetic Algorithms for Computational Materials Search S Lysgaard, PC Jennings, JS Hummelshøj, T Bligaard, T Vegge | | 2018 |
| Computational design of nanoalloy catalysts from DFT, genetic algorithms and machine learning T Vegge, P Jennings, T Bligaard, H Hansen American Chemical Society. Abstracts of Papers (at the National Meeting) 253, 2018 | | 2018 |
| Prediction of Chemisorption Energies By Gaussian Processes MH Hansen, PC Jennings, T Bligaard 2017 AIChE Annual Meeting, 2017 | | 2017 |
| Genetic Algorithms and DFT for Accelerated Design of Nanoalloys PC Jennings, S Lysgaard, V Tripkovic, HA Hansen, T Vegge Electrochemical Society Meeting Abstracts 230, 2400-2400, 2016 | | 2016 |