Rejection-free Monte Carlo sampling for general potentials

Research output: Contribution to journalArticleAcademicpeer-review

83 Citations (Scopus)
263 Downloads (Pure)


A Monte Carlo method to sample the classical configurational canonical ensemble is introduced. In contrast to the Metropolis algorithm, where trial moves can be rejected, in this approach collisions take place. The implementation is event-driven; i.e., at scheduled times the collisions occur. A unique feature of the new method is that smooth potentials (instead of only step-wise changing ones) can be used. In addition to an event-driven approach, where all particles move simultaneously, we introduce a straight event-chain implementation. As proof of principle, a system of Lennard-Jones particles is simulated.
Original languageEnglish
Article number026703
Pages (from-to)026703-1/5
Number of pages5
JournalPhysical Review E - Statistical, Nonlinear, and Soft Matter Physics
Issue number2
Publication statusPublished - 2012


Dive into the research topics of 'Rejection-free Monte Carlo sampling for general potentials'. Together they form a unique fingerprint.

Cite this