Mohammadreza Karamad

Simon Fraser University — Canada

Energy · Physical Sciences

17h-index6.0kcitations36works1.02yr avg
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Research Topics

CO2 Reduction Techniques and Catalysts(18), Electrocatalysts for Energy Conversion(17), Machine Learning in Materials Science(7), Ammonia Synthesis and Nitrogen Reduction(7), Advanced battery technologies research(5)

Publications36 total

A machine learning and explainable AI framework for adsorption energy prediction via effective representation of the adsorbate chemical environment
The Journal of Chemical Physics·2026
A Machine Learning and Explainable AI Framework for Adsorption Energy Prediction via Effective Representation of the Adsorbate Chemical Environment
AIP Publishing·2026Open Access
A Machine Learning and Explainable AI Framework for Adsorption Energy Prediction via Effective Representation of the Adsorbate Chemical Environment
AIP Publishing·2026Open Access
Supplement Number 1
AIP Publishing·2026Open Access
Supplement Number 1
AIP Publishing·2026Open Access
Computational Discovery of New C─C Coupling Electrocatalysts for CO <sub>2</sub> Electroreduction
Small·2025Open Access
Enhanced flower image classification: A multimodal approach leveraging Persian texts and deep learning
Engineering Applications of Artificial Intelligence·2025· 2 cited
Insights into C–N Bond Formation through the Coreduction of Nitrite and CO<sub>2</sub>: Guiding Selectivity Toward C–N Bond
ACS Catalysis·2025· 7 cited
Enhanced Flower Image Classification: A Multimodal Approach Leveraging Persian Texts and Deep Learning
SSRN Electronic Journal·2024Open Access
Combined High-Throughput DFT and ML Screening of Transition Metal Nitrides for Electrochemical CO<sub>2</sub> Reduction
ACS Catalysis·2023· 54 cited
Why copper catalyzes electrochemical reduction of nitrate to ammonia
Faraday Discussions·2022· 78 citedOpen Access
Density Functional Theory Screening of Transition Metal Nitrides for CO Electrochemical Reduction
Proceedings of the Materials for Sustainable Development Conference (MAT-SUS)·2022
Electrochemical ammonia synthesis via nitrate reduction on Fe single atom catalyst
Nature Communications·2021· 1.4k citedOpen Access
Ternary cobalt–iron sulfide as a robust electrocatalyst for water oxidation: A dual effect from surface evolution and metal doping
Applied Surface Science·2020· 40 cited
Heteroatom-Doped Transition Metal Nitrides for CO Electrochemical Reduction: A Density Functional Theory Screening Study
The Journal of Physical Chemistry C·2020· 13 cited
Orbital graph convolutional neural network for material property prediction
Physical Review Materials·2020· 148 citedOpen Access
Building and identifying highly active oxygenated groups in carbon materials for oxygen reduction to H2O2
Nature Communications·2020· 526 citedOpen Access
Doped Transition Metal Nitrides As Efficient Electrocatalysts for Electrochemical Reduction of CO<sub>2</sub>
ECS Meeting Abstracts·2019
Designing Carbon-Based Materials for Effective Electrochemical Reduction of CO<sub>2</sub>
ECS Meeting Abstracts·2018
Theoretical Investigations of the Electrochemical Reduction of CO on Single Metal Atoms Embedded in Graphene
ACS Central Science·2017· 65 citedOpen Access
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Frequent Co-authors

Samira Siahrostami(20), Jan Rossmeisl(8), Ian D. Gates(7), Jens K. Nørskov(7), Ib Chorkendorff(6), Ifan E. L. Stephens(6), Arnau Verdaguer‐Casadevall(5), Karen Chan(5), Davide Deiana(4), Paolo Malacrida(4), Thomas W. Hansen(4), Aditya Biswas(4), Björn Wickman(3), Marı́a Escudero-Escribano(3), Elisa A. Paoli(3), Rasmus Frydendal(3), Haotian Wang(3), Rishikesh Magar(3), Amir Barati Farimani(3), Xue Yong(2)