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Javier Heras-Domingo
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1

Pourbaix Machine Learning Framework Identifies Acidic Water..:

Abed, Jehad ; Heras-Domingo, Javier ; Sanspeur, Rohan Yuri...
Journal of the American Chemical Society.  146 (2024)  23 - p. 15740-15750 , 2024
Link: https://doi.org/10.1021/..
 
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2

Ru-based nanoparticles supported on carbon nanotubes for el..:

Romero, Nuria ; Fenoll, Dídac A. ; Gil, Laia...
Inorganic Chemistry Frontiers.  10 (2023)  20 - p. 5885-5896 , 2023
Link: https://doi.org/10.1039/..
 
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3

The Open Catalyst 2022 (OC22) Dataset and Challenges for Ox..:

Tran, Richard ; Lan, Janice ; Shuaibi, Muhammed...
ACS Catalysis.  13 (2023)  5 - p. 3066-3084 , 2023
Link: https://doi.org/10.1021/..
 
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4

WhereWulff: A Semiautonomous Workflow for Systematic Cataly..:

Sanspeur, Rohan Yuri ; Heras-Domingo, Javier ; Kitchin, John R..
Journal of Chemical Information and Modeling.  63 (2023)  8 - p. 2427-2437 , 2023
Link: https://doi.org/10.1021/..
 
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5

Applying Large Graph Neural Networks to Predict Transition ..:

Garrison, Aaron G. ; Heras-Domingo, Javier ; Kitchin, John R....
Journal of Chemical Information and Modeling.  63 (2023)  24 - p. 7642-7654 , 2023
Link: https://doi.org/10.1021/..
 
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6

Open Catalyst 2020 (OC20) Dataset and Community Challenges:

Chanussot, Lowik ; Das, Abhishek ; Goyal, Siddharth...
ACS Catalysis.  11 (2021)  10 - p. 6059-6072 , 2021
Link: https://doi.org/10.1021/..
 
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7

Correction to "The Open Catalyst 2020 (OC20) Dataset and Co..:

Chanussot, Lowik ; Das, Abhishek ; Goyal, Siddharth...
ACS Catalysis.  11 (2021)  21 - p. 13062-13065 , 2021
Link: https://doi.org/10.1021/..
 
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8

Importance of the oxyl character on the IrO2 surface depend..:

González, Danilo ; Heras-Domingo, Javier ; Sodupe, Mariona..
Journal of Catalysis.  396 (2021)  - p. 192-201 , 2021
Link: https://doi.org/10.1016/..
 
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9

Switching acidic and basic catalysis through supramolecular..:

Luis-Barrerra, Javier ; Cano, Rafael ; Imani-Shakibaei, Ghazaleh...
Catalysis Science & Technology.  9 (2019)  21 - p. 6007-6014 , 2019
Link: https://doi.org/10.1039/..
 
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10

BCN-M: A Free Computational Tool for Generating Wulff-like ..:

González, Danilo ; Camino, Bruno ; Heras-Domingo, Javier...
The Journal of Physical Chemistry C.  124 (2019)  1 - p. 1227-1237 , 2019
Link: https://doi.org/10.1021/..
 
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11

Interaction between Ruthenium Oxide Surfaces and Water Mole..:

Heras-Domingo, Javier ; Sodupe, Mariona ; Solans-Monfort, Xavier
The Journal of Physical Chemistry C.  123 (2018)  13 - p. 7786-7798 , 2018
Link: https://doi.org/10.1021/..
 
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12

Applying Large Graph Neural Networks to Predict Transition ..:

Aaron G. Garrison ; Javier Heras-Domingo ; John R. Kitchin...
doi:10.1021/acs.jcim.3c01226.s001.  , 2023
Link: https://doi.org/10.1021/..
 
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13

Smart characterization of heterogeneous catalysts: EXAFS fo..:

Andrea Ruiz-Ferrando ; Javier Heras-Domingo ; Stephan Pollitt...
doi:10.5281/zenodo.7715766.  , 2023
Link: https://zenodo.org/recor..
 
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14

WhereWulff: A semi-autonomous workflow for systematic catal..:

Rohan Yuri Sanspeur ; Javier Heras-Domingo ; John R. Kitchin.
https://github.com/yurisanspeur/wherewulff_data/tree/v1.0.0.  , 2023
Link: https://zenodo.org/recor..
 
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15

Atomically Dispersed Iridium on Indium Tin Oxide Efficientl..:

Dmitry Lebedev ; Roman Ezhov ; Javier Heras-Domingo...
https://doi.org/10.1021/acscentsci.0c00604.  , 2020
Link: https://doi.org/10.1021/..
 
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