BRIBES, SECRET COMMISSIONS AND THE MONTE CARLO GRAND HOTEL

Boltzmann bias grand canonical Monte Carlo.

We derive an efficient method for the insertion of structured particles in grand canonical Monte Carlo simulations of adsorption in very confining geometries. We extend this method to path integral simulations and use it to calculate the isotherm of adsorption of hydrogen isotopes in narrow carbon nanotubes (two-dimensional confinement) and slit pores (one-dimensional confinement) at the temper...

Forecasting Hotel Arrivals and Occupancy Using Monte Carlo Simulation

Forecasting hotel arrivals and occupancy is an important component in hotel revenue management systems. In this paper we propose a new Monte Carlo simulation approach for the arrivals and occupancy forecasting problem. In this approach we simulate the hotel reservations process forward in time, and these future Monte Carlo paths will yield forecast densities. A key step for the faithful emulati...

Parallel Grand Canonical Monte Carlo (ParaGrandMC) Simulation Code

Pivot-coupled grand canonical Monte Carlo method for ring simulations

A new method is presented for the simulation of an ensemble of polymer rings of variable size at fixed monomer chemical potential. Called pivot-coupled grand canonical Monte Carlo ~PC-GCMC!, it is based on the directed addition or removal of a monomer to or from a ring, coupled to the pivot of a section of the ring to maintain the ring’s continuity. Application of PC-GCMC to single, isolated ri...

Grand-canonical Monte Carlo method for Donnan equilibria.

We present a method that enables the direct simulation of Donnan equilibria. The method is based on a grand-canonical Monte Carlo scheme that properly accounts for the unequal partitioning of small ions on the two sides of a semipermeable membrane, and can be used to determine the Donnan electrochemical potential, osmotic pressure, and other system properties. Positive and negative ions are con...