70 citations · 169 across the 14 of their papers we have counts for
4 papers · 1 filter
Automated, LLM enabled extraction of synthesis details for reticular materials from scientific literature
Viviane Torres da Silva, Alexandre Rademaker, Krystelle Lionti +12
Automated knowledge extraction from scientific literature can potentially accelerate materials discovery. We have investigated an approach for extracting synthesis protocols for re…
Prediction of Adsorption in Nano-Pores with Graph Neural Networks
Guojing Cong, Anshul Gupta, Rodrigo Neumann +3
We investigate the graph-based convolutional neural network approach for predicting and ranking gas adsorption properties of crystalline Metal-Organic Framework (MOF) adsorbents fo…
AI powered, automated discovery of polymer membranes for carbon capture
Ronaldo Giro, Hsianghan Hsu, Akihiro Kishimoto +6
The generation of molecules with Artificial Intelligence (AI) is poised to revolutionize materials discovery. Potential applications range from development of potent drugs to effic…
Magnetic properties of La(0.67)Sr(0.33)MnO3/BiFeO3(001) heterojunctions: chemically abrupt versus atomic intermixed interface
R. F. Neumann, M. Bahiana, N. Binggeli
Using first-principles density-functional calculations, we address the magnetic properties of the ferromagnet/antiferromagnet La(0.67)Sr(0.33)MnO3/BiFeO3(001) heterojunctions, and…