Mårten Ahlquist

Mårten Ahlquist is Professor in Theoretical Chemistry and Biology at KTH Royal Institute of Technology, researching catalysts and materials for energy storage applications. His work develops computational models for catalytic processes including artificial photosynthesis.

Research employs quantum mechanical simulations to understand catalytic reactions at molecular levels, examining how solvents, surfaces, and electric fields influence reaction pathways. Current projects focus on developing next-generation catalysts for CO2 reduction, water oxidation, and nitrogen fixation.

Publications demonstrate advanced computational approaches to electrocatalysis (2023-2025), particularly CO2 reduction mechanisms, O-O bond formation in water oxidation, and catalyst design principles. Recent work reveals how secondary coordination environments and dynamic attachment affect catalytic performance.