E-LIB Suche - Ergebnisse für: Jacob Boes

1

A Bayesian framework for adsorption energy prediction on bi..:

Mamun, Osman ; Winther, Kirsten T. ; Boes, Jacob R..
npj Computational Materials. 6 (2020) 1 - p. , 2020

Link: https://doi.org/10.1038/..

2

Catalysis-Hub.org, an open electronic structure database fo..:

Winther, Kirsten T. ; Hoffmann, Max J. ; Boes, Jacob R....
Scientific Data. 6 (2019) 1 - p. , 2019

Link: https://doi.org/10.1038/..

3

Graph Theory Approach to High-Throughput Surface Adsorption..:

Boes, Jacob R. ; Mamun, Osman ; Winther, Kirsten.
The Journal of Physical Chemistry A. 123 (2019) 11 - p. 2281-2285 , 2019

Link: https://doi.org/10.1021/..

4

High-throughput calculations of catalytic properties of bim..:

Mamun, Osman ; Winther, Kirsten T. ; Boes, Jacob R..
Scientific Data. 6 (2019) 1 - p. , 2019

Link: https://doi.org/10.1038/..

5

Low-Scaling Algorithm for Nudged Elastic Band Calculations ..:

Garrido Torres, José A. ; Jennings, Paul C. ; Hansen, Martin H...
Physical Review Letters. 122 (2019) 15 - p. , 2019

Link: https://doi.org/10.1103/..

6

Neural network predictions of oxygen interactions on a dyna..:

Boes, Jacob R. ; Kitchin, John R.
Molecular Simulation. 43 (2017) 5-6 - p. 346-354 , 2017

Link: https://doi.org/10.1080/..

7

Modeling Segregation on AuPd(111) Surfaces with Density Fun..:

Boes, Jacob R. ; Kitchin, John R.
The Journal of Physical Chemistry C. 121 (2017) 6 - p. 3479-3487 , 2017

Link: https://doi.org/10.1021/..

8

First-principles study of the Cu-Pd phase diagram:

Geng, Feiyang ; Boes, Jacob R. ; Kitchin, John R.
Calphad. 56 (2017) - p. 224-229 , 2017

Link: https://doi.org/10.1016/..

9

Neural network and ReaxFF comparison for Au properties:

Boes, Jacob R. ; Groenenboom, Mitchell C. ; Keith, John A..
International Journal of Quantum Chemistry. 116 (2016) 13 - p. 979-987 , 2016

Link: https://doi.org/10.1002/..

10

Alkaline Electrolyte and Fe Impurity Effects on the Perform..:

Michael, John D. ; Demeter, Ethan L. ; Illes, Steven M....
The Journal of Physical Chemistry C. 119 (2015) 21 - p. 11475-11481 , 2015

Link: https://doi.org/10.1021/..

11

Core level shifts in Cu–Pd alloys as a function of bulk com..:

Boes, Jacob R. ; Kondratyuk, Peter ; Yin, Chunrong...
Surface Science. 640 (2015) - p. 127-132 , 2015

Link: https://doi.org/10.1016/..

12

Estimating Bulk-Composition-Dependent H2 Adsorption Energie..:

Boes, Jacob R. ; Gumuslu, Gamze ; Miller, James B...
ACS Catalysis. 5 (2015) 2 - p. 1020-1026 , 2015

Link: https://doi.org/10.1021/..

13

SUNCAT-Center/CatLearn: Version 0.6.2 (March 2020):

Paul Jennings ; Martin Hangaard Hansen ; Jose A. Garrido Torres...
https://github.com/SUNCAT-Center/CatLearn/tree/v0.6.2. , 2020

Link: https://zenodo.org/recor..

14

CatLearn: Version 0.6.0 (January 2019):

Paul Jennings ; Martin Hangaard Hansen ; Jose A. Garrido Torres...
https://github.com/SUNCAT-Center/CatLearn/tree/v0.6.0. , 2019

Link: https://zenodo.org/recor..

15

CatHub: A Python API for the Surface Reactions database on ..:

Kirsten Winther ; Max Hoffmann ; Philomena Schlexer...
https://github.com/SUNCAT-Center/CatHub/tree/v0.1.5. , 2019

Link: https://zenodo.org/recor..