Mårten S. G. Ahlquist

Center for Theoretical Physics — Poland

Energy · Physical Sciences

40h-index5.7kcitations218works2.42yr avg
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Research Topics

Electrocatalysts for Energy Conversion(52), X-ray Diffraction in Crystallography(52), Crystallization and Solubility Studies(49), CO2 Reduction Techniques and Catalysts(40), Asymmetric Hydrogenation and Catalysis(29)

Publications218 total

Large-Scale Modeling Revealing the Ability of Covalent Organic Frameworks to Function High Loading of Catalytic Centers
The Journal of Physical Chemistry C·2026Open Access
MOFBuilder: Automated end-to-end modeling ofMOF dynamics for high-throughput screening
2026Open Access
Inside Back Cover: Support‐Induced Interfacial Effects Steer Methanol Selectivity in CO2 Electroreduction by Immobilized Cobalt Phthalocyanine (Angew. Chem. 8/2026)
Angewandte Chemie·2026
Inside Back Cover: Support‐Induced Interfacial Effects Steer Methanol Selectivity in CO2 Electroreduction by Immobilized Cobalt Phthalocyanine (Angew. Chem. Int. Ed. 8/2026)
Angewandte Chemie International Edition·2026Open Access
Decoding Electric Double Layer Effects on CO <sub>2</sub> Electroreduction on Ni–N–C via Multiscale Modeling
ACS Catalysis·2025Open Access
Publisher Correction: Metal-hydroxyls mediate intramolecular proton transfer in heterogeneous O–O bond formation
Nature Chemistry·2025Open Access
Support‐Induced Interfacial Effects Steer Methanol Selectivity in CO <sub>2</sub> Electroreduction by Immobilized Cobalt Phthalocyanine
Angewandte Chemie·2025Open Access
Support‐Induced Interfacial Effects Steer Methanol Selectivity in CO <sub>2</sub> Electroreduction by Immobilized Cobalt Phthalocyanine
Angewandte Chemie International Edition·2025Open Access
Metal-hydroxyls mediate intramolecular proton transfer in heterogeneous O–O bond formation
Nature Chemistry·2025· 5 citedOpen Access
How Cation Size Modulates the Anion Effect in CO <sub>2</sub> Electroreduction: Insights from Multiscale Modeling of Electrochemical Interfaces
ACS Catalysis·2025· 3 citedOpen Access
Novel carbon nanotube-based potentiometric sensor for ascorbic acid detection. Unveiling evidence on surface interactions
Sensors and Actuators B Chemical·2025Open Access
Electrochemical Deoxygenative Silylation of Alcohols
Angewandte Chemie·2025· 1 citedOpen Access
Electrochemical Deoxygenative Silylation of Alcohols
Angewandte Chemie International Edition·2025· 4 citedOpen Access
VeloxChem Quantum–Classical Interoperability for Modeling of Complex Molecular Systems
The Journal of Physical Chemistry A·2025· 2 citedOpen Access
How Cation Size Modulates Anion Effect in CO2 Electroreduction: Insights From Operando-Mimicking Modeling
2025Open Access
A Sm(II)-based catalyst for the reduction of dinitrogen, nitrite, and nitrate to ammonia or urea
Chem·2025· 10 citedOpen Access
Electrochemical Deoxygenative Silylation of Alcohols
2025· 1 citedOpen Access
Photocatalytic product-selective reduction of CO2, CO, and carbonates
Chem·2025· 15 citedOpen Access
Development and Application of Fe<sup>3+</sup>, Al<sup>3+</sup>, Cr<sup>3+</sup> Dummy Atom Models for Metal–Organic Frameworks
ACS Omega·2025· 1 citedOpen Access
Secondary Coordination Effects of Adjacent Metal Center in Metal–Nitrogen-Carbon Improve Scaling Relation of Oxygen Electrocatalysis
The Journal of Physical Chemistry Letters·2025· 6 cited
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Frequent Co-authors

Licheng Sun(14), Shaoqi Zhan(9), Lele Duan(8), Per‐Ola Norrby(7), Lei Wang(5), Ting Fan(5), Valery V. Fokin(4), Mei Wang(4), Fusheng Li(4), Biaobiao Zhang(4), Ying Wang(4), Ola F. Wendt(4), Lianpeng Tong(4), Eun Jeong Yoo(3), Imhyuck Bae(3), K. Barry Sharpless(3), Sukbok Chang(3), Xiaoyu Chen(3), Lizhou Fan(3), Brian J. J. Timmer(3)