6533b86ffe1ef96bd12cd533

RESEARCH PRODUCT

Gibbs-ensemble path-integral Monte Carlo simulations of a mixed quantum-classical fluid

P. NielabaP. NielabaF. SchneiderF. SchneiderD. MarxD. Marx

subject

PhysicsHybrid Monte CarloQuantum Monte CarloMonte Carlo methodDynamic Monte Carlo methodMonte Carlo method in statistical physicsMonte Carlo integrationStatistical physicsPath integral Monte CarloMonte Carlo molecular modeling

description

We study a model fluid with classical translational degrees of freedom and internal quantum states in two spatial dimensions. The path-integral Monte Carlo and the Gibbs-ensemble Monte Carlo techniques are combined to investigate the liquid-gas coexistence region in this mixed quantum-classical system. A comparison with the phase diagram obtained in the canonical ensemble is also presented.

yearjournalcountryeditionlanguage
1995-05-01Physical Review E
https://doi.org/10.1103/physreve.51.5162