2 papers
quant-ph2021
Optimizing Electronic Structure Simulations on a Trapped-ion Quantum Computer using Problem Decomposition
Yukio Kawashima, Erika Lloyd, Marc P. Coons +12
Quantum computers have the potential to advance material design and drug discovery by performing costly electronic structure calculations. A critical aspect of this application req…
quant-ph2018
A Variable Neighbourhood Descent Heuristic for Conformational Search Using a Quantum Annealer
D. J. J. Marchand, M. Noori, A. Roberts +6
Discovering the low-energy conformations of a molecule is of great interest to computational chemists, with applications in {\em in silico} materials design and drug discovery. In…