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Brian Rohr
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A rigorous electrochemical ammonia synthesis protocol with quantitative isotope measurements
SZ Andersen, V Čolić, S Yang, JA Schwalbe, AC Nielander, ...
Nature 570 (7762), 504-508, 2019
10962019
Electrochemical Ammonia Synthesis The Selectivity Challenge
AR Singh, BA Rohr, JA Schwalbe, M Cargnello, K Chan, TF Jaramillo, ...
Acs Catalysis 7 (1), 706-709, 2017
7702017
Strategies toward selective electrochemical ammonia synthesis
AR Singh, BA Rohr, MJ Statt, JA Schwalbe, M Cargnello, JK Nørskov
Acs Catalysis 9 (9), 8316-8324, 2019
1692019
Benchmarking the acceleration of materials discovery by sequential learning
B Rohr, HS Stein, D Guevarra, Y Wang, JA Haber, M Aykol, SK Suram, ...
Chemical science 11 (10), 2696-2706, 2020
1192020
Random forest machine learning models for interpretable X-ray absorption near-edge structure spectrum-property relationships
SB Torrisi, MR Carbone, BA Rohr, JH Montoya, Y Ha, J Yano, SK Suram, ...
npj Computational Materials 6 (1), 109, 2020
1062020
Computational design of active site structures with improved transition-state scaling for ammonia synthesis
AR Singh, JH Montoya, BA Rohr, C Tsai, A Vojvodic, JK Nørskov
ACS Catalysis 8 (5), 4017-4024, 2018
1042018
A theoretical study of the effect of a non-aqueous proton donor on electrochemical ammonia synthesis
L Zhang, SM Sharada, AR Singh, BA Rohr, Y Su, L Qiao, JK Nørskov
Physical Chemistry Chemical Physics 20 (7), 4982-4989, 2018
912018
Predicting chemical reaction barriers with a machine learning model
AR Singh, BA Rohr, JA Gauthier, JK Nørskov
Catalysis Letters 149, 2347-2354, 2019
892019
A Combined Theory‐Experiment Analysis of the Surface Species in Lithium‐Mediated NH3 Electrosynthesis
JA Schwalbe, MJ Statt, C Chosy, AR Singh, BA Rohr, AC Nielander, ...
ChemElectroChem 7 (7), 1542-1549, 2020
832020
A theoretical explanation of the effect of oxygen poisoning on industrial Haber-Bosch catalysts
BA Rohr, AR Singh, JK Nørskov
Journal of catalysis 372, 33-38, 2019
482019
Scaling relationships and volcano plots in homogeneous catalysis
M Anand, B Rohr, MJ Statt, JK Nørskov
The Journal of Physical Chemistry Letters 11 (20), 8518-8526, 2020
332020
The materials research platform: defining the requirements from user stories
M Aykol, JS Hummelshøj, A Anapolsky, K Aoyagi, MZ Bazant, T Bligaard, ...
Matter 1 (6), 1433-1438, 2019
242019
Micro-kinetic model of electrochemical carbon dioxide reduction over platinum in non-aqueous solvents
BA Rohr, AR Singh, JA Gauthier, MJ Statt, JK Nørskov
Physical Chemistry Chemical Physics 22 (16), 9040-9045, 2020
162020
ESAMP: event-sourced architecture for materials provenance management and application to accelerated materials discovery
MJ Statt, BA Rohr, K Brown, D Guevarra, J Hummelshøj, L Hung, ...
Digital Discovery 2 (4), 1078-1088, 2023
112023
A cyclic electrochemical strategy to produce acetylene from CO 2, CH 4, or alternative carbon sources
JM McEnaney, BA Rohr, AC Nielander, AR Singh, LA King, JK Nørskov, ...
Sustainable Energy & Fuels 4 (6), 2752-2759, 2020
102020
Automated image processing for spatially resolved analysis of lipid droplets in cultured 3T3-L1 adipocytes
JK Sims, B Rohr, E Miller, K Lee
Tissue Engineering Part C: Methods 21 (6), 605-613, 2015
92015
Front Cover: A Combined Theory‐Experiment Analysis of the Surface Species in Lithium‐Mediated NH3 Electrosynthesis (ChemElectroChem 7/2020).
JA Schwalbe, MJ Statt, C Chosy, AR Singh, BA Rohr, AC Nielander, ...
ChemElectroChem 7 (7), 2020
82020
The materials experiment knowledge graph
MJ Statt, BA Rohr, D Guevarra, SK Suram, JM Gregoire
Digital Discovery 2 (4), 909-914, 2023
52023
The materials provenance store
MJ Statt, BA Rohr, D Guevarra, SK Suram, TE Morrell, JM Gregoire
Scientific Data 10 (1), 184, 2023
42023
DBgen: A python library for defining scalable, maintainable, accessible, reconfigurable, transparent (SMART) data pipelines
M Statt, K Brown, S Suram, L Hung, D Schweigert, J Gregoire, B Rohr
32021
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