no code implementations • 5 Jan 2021 • Peter M. Tzelios, Kyle J. M. Bishop
We show that physical constraints based on continuity and locality can strongly influence the probability of persistence and its dependence on system size.
Soft Condensed Matter
no code implementations • 19 Jan 2019 • John S. Schreck, Connor W. Coley, Kyle J. M. Bishop
The problem of retrosynthetic planning can be framed as one player game, in which the chemist (or a computer program) works backwards from a molecular target to simpler starting materials though a series of choices regarding which reactions to perform.