Monte Carlo simulations using Wang-Landau sampling are performed to study three-dimensional chains of homopolymers on a lattice. We confirm the accuracy of the method by calculating the thermodynamic properties of this system. Our results are in good agreement with those obtained using Metropolis importance sampling. This algorithm enables one to accurately simulate the usually hardly accessible low-temperature regions since it determines the density of states in a single simulation
I will discuss work in progress to extend the use of efficient data structures from lattice self-avo...
We study the thermodynamic and structural properties of a flexible homopolymer chain using both mult...
We develop the hybrid Monte Carlo method for simulations of single off-lattice polymer chains. We di...
The Wang-Landau technique is a new Monte Carlo approach which provides an effective means of studyin...
The Wang-Landau method is used to study thermodynamic properties of a three-dimensional flexible hom...
The temperature-independent Wang-Landau Monte Carlo approach is implemented for an off-lattice model...
International audienceThe relative performances of different implementations of the Wang-Landau meth...
The 1/t Wang–Landau algorithm is tested on simple models of polymers and proteins. It is found that ...
Gō-like models are one of the oldest protein modeling concepts in computational physics and have pro...
AbstractWe present a comparison of the performance, relative strengths and relative weaknesses of st...
We describe a class of "bare bones” models of homopolymers which undergo coil-globule collapse and p...
We present preliminary results for Monte Carlo simulations of a three dimensional semi-flexible poly...
This thesis considers confined polymer systems. These systems are of considerable interest, e.g., th...
ABSTRACT: Histogram reweighting Monte Carlo simulations were used to obtain polymer/solvent phase di...
Polymers is a class of molecules which can have many different structures due to a large number of d...
I will discuss work in progress to extend the use of efficient data structures from lattice self-avo...
We study the thermodynamic and structural properties of a flexible homopolymer chain using both mult...
We develop the hybrid Monte Carlo method for simulations of single off-lattice polymer chains. We di...
The Wang-Landau technique is a new Monte Carlo approach which provides an effective means of studyin...
The Wang-Landau method is used to study thermodynamic properties of a three-dimensional flexible hom...
The temperature-independent Wang-Landau Monte Carlo approach is implemented for an off-lattice model...
International audienceThe relative performances of different implementations of the Wang-Landau meth...
The 1/t Wang–Landau algorithm is tested on simple models of polymers and proteins. It is found that ...
Gō-like models are one of the oldest protein modeling concepts in computational physics and have pro...
AbstractWe present a comparison of the performance, relative strengths and relative weaknesses of st...
We describe a class of "bare bones” models of homopolymers which undergo coil-globule collapse and p...
We present preliminary results for Monte Carlo simulations of a three dimensional semi-flexible poly...
This thesis considers confined polymer systems. These systems are of considerable interest, e.g., th...
ABSTRACT: Histogram reweighting Monte Carlo simulations were used to obtain polymer/solvent phase di...
Polymers is a class of molecules which can have many different structures due to a large number of d...
I will discuss work in progress to extend the use of efficient data structures from lattice self-avo...
We study the thermodynamic and structural properties of a flexible homopolymer chain using both mult...
We develop the hybrid Monte Carlo method for simulations of single off-lattice polymer chains. We di...