Towards ab-initio quality description of porous materials: Developing general Machine-Learned Potentials to simulate physical and adsorption properties of Metal-Organic Frameworks

Yifei Yue, Saad Aldin Mohamed, Athuyla S. Palakkal, N. Duane Loh, Jiang Jianwen

Submission Type: I want my submission to be considered for both oral and poster presentation.

Keywords: Machine Learned Potential, Metal-Organic Frameworks, Material Design

TL;DR: We present a series of generalizable Machine Learned Potential for simulating the mechanical and adsorption properties of Metal-Organic Frameworks.

Confirmation Of Submission Requirements: I submit an abstract. It uses the template provided on the submission page and is no longer than 2 pages.

Submission Number: 371