Daiane Damasceno Borges

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Related publications (1)

Please note that this is not a complete list of this person’s publications. It includes only semantically relevant works. For a full list, please refer to Infoscience.

In Silico Discovery of Covalent Organic Frameworks for Carbon Capture

Aliaksandr Yakutovich, Berend Smit, Daniele Ongari, Johanna Maria Huck, Kathryn Suzanne Deeg, Christoph Leopold Talirz, Daiane Damasceno Borges, Nakul Rampal

We screen a database of more than 69 000 hypothetical covalent organic frameworks (COFs) for carbon capture using parasitic energy as a metric. To compute CO2-framework interactions in molecular simulations, we develop a genetic algorithm to tune the charg ...

2020

Related publications (1)

Please note that this is not a complete list of this person’s publications. It includes only semantically relevant works. For a full list, please refer to Infoscience.

In Silico Discovery of Covalent Organic Frameworks for Carbon Capture

Aliaksandr Yakutovich, Berend Smit, Daniele Ongari, Johanna Maria Huck, Kathryn Suzanne Deeg, Christoph Leopold Talirz, Daiane Damasceno Borges, Nakul Rampal

2020