Accelerating Electronic Structure Calculations With Machine Learning

New chemicals and new materials have transformed modern life: pharmaceuticals, pesticides, surfactants, alloys, catalysts, polymers, battery electrodes, and countless other materials play critical roles in healthcare, construction, energy, and other wide-ranging industries. New materials are not gen...

Full description

Bibliographic Details

Main Author:	Rothchild, Daniel
Format:	Dissertation
Language:	English
Published:	ProQuest Dissertations & Theses 01-01-2023
Subjects:	Artificial intelligence Computer science
Online Access:	Get full text
Tags:	Add Tag No Tags, Be the first to tag this record!