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Paul C. Jennings
Paul C. Jennings
Verified email at dtu.dk
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Year
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
34822017
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
1882019
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
1662019
A DFT study of oxygen dissociation on platinum based nanoparticles
PC Jennings, HA Aleksandrov, KM Neyman, RL Johnston
Nanoscale 6 (2), 1153-1165, 2014
752014
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
462012
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
432015
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
302019
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
292016
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
292013
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
282014
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
262012
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
122016
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
61981
Computational studies of mono-and bimetallic nanoclusters for potential polymer electrolyte fuel cell applications
PC Jennings
University of Birmingham, 2014
22014
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
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