Metastable Polymorph Stabilization with Physics-based Descriptor Engineering and Machine Learning

Haiwen Dai, Andy Paul Chen, Shuya Yamazaki, Andre KY Low, Jose Recatala-Gomez, Meng Fanxu, Kedar Hippalgaonkar

Keywords: Retrosynthesis; Selective phase formation;

TL;DR: An ML-classifier to determine if a metastable polymorph can be stablized in ambient or other conditions (high temperature or pressure).

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: 213