Data Efficient Neural Scaling Law via Model Reusing
Peihao Wang, Rameswar Panda, et al.
ICML 2023
There is a growing urgency to discover better materials that capture CO2 from air and improve battery performance. An important step is to search large databases of materials properties to find examples that resemble known carbon capture agents or electrolytes and then test them for effectiveness. This paper describes novel computational tools for accelerated discovery of solvents, nano-porous materials, and electrolytes. These tools have produced interesting results so far, such as the identification of a relatively isolated location in amine configuration space for the solvents with known carbon capture use, and the demonstration of an end-to-end simulation and process model for carbon capture in MOFs.
Peihao Wang, Rameswar Panda, et al.
ICML 2023
Ehud Aharoni, Nir Drucker, et al.
CCS 2022
Ella Barkan, Ibrahim Siddiqui, et al.
Computational And Structural Biotechnology Journal
Debarghya Mukherjee, Felix Petersen, et al.
NeurIPS 2022