A multigrid algorithm for sampling imaginary-time paths in quantum Monte Carlo simulations

Article Abstract:

A novel simulation method is used to eliminate the slowing-down problem in the Monte Carlo (MC) simulations of imaginary-time path integrals near the continuum limit. The methods effectiveness and efficiency are demonstrated for several one-dimensional quantum systems and compared to other standard and accelerated methods and is found to exhibit highly ergodic dynamics .

Quantum chemistry, Ergodic theory

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Phase transitions of confined lattice homopolymers

Article Abstract:

The phase behavior and structure of lattice homopolymers confined to a surface and between two hard walls are analyzed using regular and expanded ensemble grand canonical Monte Carlo (GCMC) simulation in conjunction with multihistogram reweighting. The results revealed that confinement alters critical behavior substantially from the behavior of polymers in bulk.

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Solubilization of homopolymers in a solution of diblock copolymers

Article Abstract:

Mixed solutions of homopolymer and diblock copolymer chains are studied theoretically. It is concluded that the formation of copolymer micelles containing also the insoluble chains allows for an increased solubility of the homopolymers in the solution.

Micelles, Block copolymers

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