METHODS AND SYSTEMS FOR QUANTUM COMPUTING ENABLED MOLECULAR AB INITIO SIMULATIONS USING QUANTUM-CLASSICAL COMPUTING HARDWARE

摘要

The present disclosure provides methods and systems for using a hybrid architecture of quantum and classical computing to compute the quantum mechanical energy and/or electronic structure of a chemical system, as well as to identify stable conformations of a chemical system (e.g., a molecule) and/or to perform an ab initio molecular dynamics calculation or simulation on the chemical system.