Thermodynamics and structure of macromolecules from flat-histogram Monte Carlo simulations

Soft Matter ◽  
2016 ◽  
Vol 12 (3) ◽  
pp. 642-657 ◽  
Author(s):  
Wolfhard Janke ◽  
Wolfgang Paul
Keyword(s):  
Monte Carlo ◽  
Statistical Mechanics ◽  
Monte Carlo Simulations ◽  
Polymer Chains

Over the last decade flat-histogram Monte Carlo simulations, especially multi-canonical and Wang–Landau simulations, have emerged as a strong tool to study the statistical mechanics of polymer chains.

Phase transitions of single polymer chains and of polymer solutions: insights from Monte Carlo simulations

2008 ◽  
Vol 20 (49) ◽  
pp. 494215 ◽  
Author(s):  
K Binder ◽  
W Paul ◽  
T Strauch ◽  
F Rampf ◽  
V Ivanov ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Phase Transitions ◽  
Monte Carlo Simulations ◽  
Polymer Solutions ◽  
Polymer Chains

Adsorption of three-domain antifreeze proteins on ice: a study using LGMMAS theory and Monte Carlo simulations

2017 ◽  
Vol 19 (46) ◽  
pp. 31377-31388 ◽  
Author(s):  
Juan Ignacio Lopez Ortiz ◽  
Paola Torres ◽  
Evelina Quiroga ◽  
Claudio F. Narambuena ◽  
Antonio J. Ramirez-Pastor
Keyword(s):  
Monte Carlo ◽  
Statistical Mechanics ◽  
Monte Carlo Simulations ◽  
Antifreeze Proteins ◽  
Ice Surface ◽  
Remarkable Agreement

Statistical mechanics studies predict how three-domain antifreeze proteins adsorb on an ice surface, with a remarkable agreement with Monte Carlo simulations.

scholarly journals Equilibrium organization, conformation, and dynamics of two polymers under box-like confinement

Soft Matter ◽  
2021 ◽  
Author(s):  
James Munro Polson ◽  
Desiree Rehel
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Brownian Dynamics ◽  
Polymer Chains

Motivated by recent nanofluidics experiments, we use Brownian dynamics and Monte Carlo simulations to study the conformation, organization and dynamics of two polymer chains confined to a single box-like cavity....

ENTROPIC REPULSION BETWEEN FLUCTUATING SURFACES

1990 ◽  
Vol 04 (11n12) ◽  
pp. 1763-1808 ◽  
Author(s):  
W. JANKE
Keyword(s):  
Monte Carlo ◽  
Simple Model ◽  
Statistical Mechanics ◽  
Monte Carlo Simulations ◽  
Long Range ◽  
Entropic Repulsion ◽  
Physical Systems ◽  
Model Surfaces ◽  
Out Of Plane ◽  
Repulsive Forces

The statistical mechanics of fluctuating surfaces plays an important role in a variety of physical systems, ranging from biological membranes to world sheets of strings in theories of fundamental interactions. In many applications it is a good approximation to assume that the surfaces possess no tension. Their statistical properties are then governed by curvature energies only, which allow for gigantic out-of-plane undulations. These fluctuations are the “entropic” origin of long-range repulsive forces in layered surface systems. Theoretical estimates of these forces for simple model surfaces are surveyed and compared with recent Monte Carlo simulations.

Sign in / Sign up

Export Citation Format

Share Document