Dissemination
Explore the section below to consult our latest publications and outreach activities. If you need specific information or want to collaborate with us, get in touch!
Our publications
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Shedding Light on the Stakeholders’ Perspectives for Carbon Capture
In: ChemRxiv preprint
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Process-informed adsorbent design guidelines for direct air capture
In: Chemical Engineering Journal, 2023, 456, 141035
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Is GPT all you need for low-data discovery in chemistry?
In: ChemRxiv, 2023, DOI: 10.26434/chemrxiv-2023-fw8n4-v2
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Inverse design of metal-organic frameworks for direct air capture of CO₂ via deep reinforcement learning
In: ChemRxiv, 2023, DOI: 10.26434/chemrxiv-2023-71mjq-v2
Outreach activities
Invited Lecture at the Sports Sustainability Summit
Prof. Susana Garcia gave Invited Lecture at the Sports Sustainability Summit organised by the Spanish Olympic Committee on 18th October, showcasing exciting research activities within USorb-DAC.
Special Seminar: Big Data in Chemical Engineering: Science Beyond Understanding
Prof. Berend Smit and Prof. Susana Garcia gave a talk at Lawrence Berkeley National Laboratory on September 13, 2023. Metal-organic frameworks (MOFs) are the ideal playground for data science in Chemistry and Chemical Engineering. MOFs are crystalline materials consisting of a metal node and an organic linker. By combining different metal nodes and organic linkers, chemists can synthesize infinite materials for applications ranging from gas separation, gas storage, sensing, catalysis, etc. The holy grain of MOF synthesis is to design an optimal MOF for a given application. There are some fundamental reasons why we are still far from this goal. Chemical design space is infinite, and all possible MOFs are impossible to screen, experimentally or computationally. In addition, we need […]
