Data-driven Atomistic Simulation (DAS)
Research group led by Miguel Caro
![DAS research group photo](/sites/g/files/flghsv161/files/styles/o_288w_ah_n/public/2023-05/image_0_1.png?itok=hR6T_7XZ)
The DAS group is led by Academy of Finland Research Fellow Miguel Caro. We use quantum mechanical simulations and machine learning to model the atomic-scale processes taking place in materials.
Our focus areas include:
- The development of new techniques and algorithms for atomistic modeling
- The development of efficient parallel atomistic software (like the TurboGAP [turbogap.fi] code)
- The study of the atomistic structure and properties of carbon-based materials
- The study of nanoparticles for catalysis, e.g., for hydrogen production or CO2 reduction
- The study of next-generation battery materials, such as nanoporous carbon for sodium-ion batteries
- Biomass conversion, like the pyrolysis of cellulose and liquefaction of wood-processing sidestreams.
For more information, contact Dr. Miguel Caro ([email protected]). Further content, resources and news about the group and our work can be found at miguelcaro.org.