On the formalization of asynchronous first passage algorithms

J Chem Phys. 2019 Apr 7;150(13):134106. doi: 10.1063/1.5083147.

Abstract

Formalization of first passage schemes is revisited, and the emerging conceptual contradiction is underlined. We then show why, despite such a contradiction, the numerical results are not explicitly affected. Through a different formalization of the problem, we recast the current principles of the algorithm in a more solid conceptual framework and numerical evidence gives further justification to our claims.