Zobrazeno 1 - 10 of 79 pro vyhledávání: '"Paul C. Jennings"'
1
Low-Scaling Algorithm for Nudged Elastic Band Calculations Using a Surrogate Machine Learning Model
Autor: Jacob R. Boes, Martin Hangaard Hansen, Thomas Bligaard, Paul C. Jennings, José A. Garrido Torres
Publikováno v: Physical Review Letters. 122
We present the incorporation of a surrogate Gaussian Process Regression (GPR) atomistic model to greatly accelerate the rate of convergence of classical Nudged Elastic Band (NEB) calculations. In our surrogate model approach, the cost of converging t
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bf7a1001ab0066192dc86ce420a23cf8
https://doi.org/10.1103/physrevlett.122.156001
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2
Genetic algorithms for computational materials discovery accelerated by machine learning
Autor: Jens S. Hummelshøj, Steen Lysgaard, Paul C. Jennings, Thomas Bligaard, Tejs Vegge
Publikováno v: C. Jennings, P, Lysgaard, S, Hummelshøj, J S, Vegge, T & Bligaard, T 2019, ' Genetic algorithms for computational materials discovery accelerated by machine learning ', n p j Computational Materials, vol. 5, 46 . https://doi.org/10.1038/s41524-019-0181-4
npj Computational Materials, Vol 5, Iss 1, Pp 1-6 (2019)
Materials discovery is increasingly being impelled by machine learning methods that rely on pre-existing datasets. Where datasets are lacking, unbiased data generation can be achieved with genetic algorithms. Here a machine learning model is trained
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c4e1be02f45d6aeb7dda696e8cab6b16
https://orbit.dtu.dk/en/publications/c7e59393-7f64-4bca-942d-b63b74fa0cfa
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3
Machine Learning Accelerated Genetic Algorithms for Computational Materials Search
Autor: Steen Lysgaard, Paul C. Jennings, Jens Strabo Hummelshøj, Thomas Bligaard, Tejs Vegge
A machine learning model is used as a surrogate fitness evaluator in a genetic algorithm (GA) optimization of the atomic distribution of Pt-Au nanoparticles. The machine learning accelerated genetic algorithm (MLaGA) yields a 50-fold reduction of req
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f2436fe51933223b5fb3b972496e8a60
https://doi.org/10.26434/chemrxiv.7411172.v1
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4
The center approach in earthquake engineering research and education
Autor: Paul C. Jennings
Publikováno v: Earthquake Engineering Frontiers in the New Millennium ISBN: 9780203758984
Earthquake Engineering Frontiers in the New Millennium
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::60f14ce52095b9367b1807bba18fc7c0
https://doi.org/10.1201/9780203758984-12
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5
Structures of small Ti- and V-doped Pt clusters: A GA-DFT study
Autor: Paul C. Jennings, Roy L. Johnston
Publikováno v: Computational and Theoretical Chemistry. 1021:91-100
High level GA-DFT searches are performed on small platinum clusters doped with early transition metal atoms, Ptx−yMy (M = Ti, V), where x = 2–6, y = 1, 2. Spin effects are studied and the global minimum structures are presented for the various sp
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::53554d5401f30b0be2345316568481c2
https://doi.org/10.1016/j.comptc.2013.06.033
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7
Electronic Properties of Pt–Ti Nanoalloys and the Effect on Reactivity for Use in PEMFCs
Autor: Paul C. Jennings, Bruno G. Pollet, Roy L. Johnston
Publikováno v: The Journal of Physical Chemistry C. 116:15241-15250
Theoretical investigations of Pt–Ti nanoparticles are presented using density functional theory (DFT) to study clusters up to sizes of 1.7 nm (201 atoms). Several compositions have been studied for varying sizes, and a projected density of states a
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::f05963b6e87e2fbaf1e3b958f0316d52
https://doi.org/10.1021/jp303577t
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8
George Housner: A Personal Remembrance
Autor: Paul C. Jennings
Publikováno v: Earthquake Spectra. 25:467-483
George W. Housner, C F Braun Professor of Engineering, Emeritus, died after a short illness on 10 November 2008, just a few weeks before his 98th birthday. He was in the retirement home in Pasadena where he had lived for several years. For all of us
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::bb130c7a889f7634902e4f4f46d2e0f0
https://doi.org/10.1193/1.3097003
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9
George W. Housner (1910-2008)
Autor: Paul C. Jennings
Publikováno v: Seismological Research Letters. 80:192-195
George W. Housner, Carl F Braun Professor of Engineering, emeritus, died after a short illness on 10 November 2008, just a few weeks before his 98th birthday. He was in the retirement home in Pasadena where he had lived for several years. For all of
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dbe02b193a35079bfbcf1c13702c9d91
https://doi.org/10.1785/gssrl.80.2.192
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10
George Housner: A Personal Remembrance (1910-2008)
Autor: Paul C. Jennings
Publikováno v: Earthquake Engineering & Structural Dynamics. 38:269-284
George W. Housner, C F Braun Professor of Engineering, Emeritus, died after a short illness on November 10, 2008, just a few weeks before his 98th birthday. He was in the retirement home in Pasadena where he had lived for several years. For all of us
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::d1ebba84d2d23b6a1669665a3d6a26b9
https://doi.org/10.1002/eqe.906
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