Details

Autor(en) / Beteiligte

• Peters, E A J F
• de With, G

Titel

Rejection-free Monte Carlo sampling for general potentials

Ist Teil von

• Physical review. E, Statistical, nonlinear, and soft matter physics, 2012-02, Vol.85 (2 Pt 2), p.026703-026703, Article 026703

Ort / Verlag

United States

Erscheinungsjahr

2012

Quelle

PROLA - Physical Review Online Archive

Beschreibungen/Notizen

• 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.