Alán Aspuru-Guzik

TL;DR: In this paper, a truncated Taylor series is used to obtain logarithmic scaling with the inverse of the desired precision for sparse Hamiltonian simulation of fermionic systems.

TL;DR: In this article, the authors studied two mechanisms of nucleophilic addition of water, one reversible and one irreversible, that limit quinone performance in practical flow batteries and quantified the source of the instability of quinones in water, and explored the relationships between chemical structure, electrochemical reduction potential, and decomposition or instability mechanisms.

TL;DR: A closed-loop system capable of carrying out parallel autonomous process optimization experiments in batch with significantly reduced cycle times is developed, and it is found that the definition of a set of meaningful, broad, and unbiased process parameters was the most critical aspect of a successful optimization.

TL;DR: In this paper, the authors introduce the basic concepts of ML-directed workflows and discuss how these tools can be used to aid in the development of various types of drug formulations.