PAC Generalization via Invariant Representations
Advait Parulekar, Karthikeyan Shanmugam, 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.
Advait Parulekar, Karthikeyan Shanmugam, et al.
ICML 2023
Dian Balta, Mahdi Sellami, et al.
ePart 2021
Jitendra Singh, Smit Marvaniya, et al.
INFORMS 2022
Raúl Fernández Díaz, Lam Thanh Hoang, et al.
ACS Fall 2024