We simulate catalysis, thermodynamics and processes for sustainable energy.
Capture and conversion of CO₂ in one process. This cuts energy use and capital cost compared with separate capture and conversion steps.
Removing CO₂ straight from air at about 420 ppm. The challenge is sorbent performance, energy and cost.
Sustainable aviation fuel (SAF) from biomass, from reaction mechanisms to full process design.
Turning waste plastic into high-value chemicals and materials.
Kinetic Monte Carlo and population balance models of catalytic hydrogenolysis. They link catalyst surface chemistry to selectivity, yield and conversion.
Material and molecular properties from quantum mechanics, with no empirical data.
Finding candidate materials faster, with fewer experiments.
Is it worth building? Production cost, emissions and sensitivity analysis.
