Monte Carlo simulation of folding transitions of simple model proteins using a chain growth algorithm

1992 ◽  
Vol 97 (11) ◽  
pp. 8644-8652 ◽  
Author(s):  
Eamonn M. O’Toole ◽  
Athanassios Z. Panagiotopoulos
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Simple Model ◽  
Chain Growth ◽  
A Chain

A MONTE CARLO SIMULATION OF MAGNETIC ORDERING IN ISING CUBIC FERROSPINELS

2004 ◽  
Vol 03 (02) ◽  
pp. 179-188 ◽  
Author(s):  
N. STANICA ◽  
F. CIMPOESU ◽  
GIANINA DOBRESCU ◽  
V. CHIHAIA ◽  
LUMINITA PATRON ◽  
...  
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Magnetic Properties ◽  
Simple Model ◽  
Magnetic Ordering ◽  
Exchange Interactions ◽  
Monte Carlo Studies ◽  
Quantum Spins ◽  
Type Lattice ◽  
Insight Into

This work signifies the next step in our way in the magnetic properties simulation of spin clusters and extended networks containing quantum spins, by original FORTRAN codes based on Heisenberg–Dirac–VanVleck (HDVV) or Ising approaches, using Full Diagonalization Heisenberg Matrix (FDHM) or Monte Carlo–Metropolis (MCM) procedure, respectively. We present the results of magnetic Monte Carlo studies on a magnetite type lattice, Ising model ferrimagnet that provide insight into the exchange interactions involved in Cubic Ferrospinels. We have demonstrated that a comparatively simple model can reproduce ferrimagnetic behavior of ferrospinels, particularly for magnetite.

Mask-Edge Distributions Produced by 80 KeV As+ Ion Implantation Into Si

1996 ◽  
Vol 439 ◽  
Author(s):  
D. Danailov ◽  
D. Karpuzov ◽  
A. Almazouzi ◽  
P.De Almeida ◽  
M. Victoria
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Simple Model ◽  
Ion Implantation ◽  
Computer Code ◽  
Target Atom ◽  
Mask Edge ◽  
Computer Procedure

AbstractThe 2D-dopant and defect distributions resulting from 80 keV ion implantation of As+ ions into Si through a high-edge mask are presented. The distributions are obtained by means of an efficient computer procedure using the results of Monte Carlo simulation. Two versions of the computer code TRIM are used. The 2D-target atom redistribution is obtained as a result of cascade collisions. The simulation reveals the effect of near-mask-edge target atom depletion. This effect is related to the recoil phenomena and can be explained on the basis of simple model.

scholarly journals Early stages of aggregation in fluid mixtures of dimers and spheres: a theoretical and simulation study

2021 ◽  
Author(s):  
Gianmarco Munao ◽  
Santi Prestipino ◽  
Dino Costa
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Simple Model ◽  
Simulation Study ◽  
Interaction Site ◽  
Molecular Fluids ◽  
Fluid Mixtures ◽  
Site Model ◽  
Early Stages ◽  
Reference Interaction Site

We use Monte Carlo simulation and the Reference Interaction Site Model (RISM) theory of molecular fluids to investigate a simple model of colloidal mixture consisting of dimers, made up of...

scholarly journals Monte Carlo simulation of the adsorption of phenol on gold electrodes: a simple model

2004 ◽  
Vol 15 (2) ◽  
Author(s):  
Rodrigo S. Neves ◽  
Artur J. Motheo ◽  
Fernando M. S. Silva Fernandes ◽  
Rui P. S. Fartaria
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Simple Model ◽  
Gold Electrodes

On the Glass Transition in Polymer Films: Recent Monte Carlo Results

1998 ◽  
Vol 543 ◽  
Author(s):  
J. Baschnagel ◽  
K. Binder
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Diffusion Coefficient ◽  
Glass Transition ◽  
Polymer Film ◽  
Polymer Films ◽  
The Other ◽  
Strong Tendency ◽  
Other Hand ◽  
A Chain

AbstractThis paper reports results of a Monte Carlo simulation for a simplified lattice modelof a supercooled polymer film. The film geometry is realized by two opposite hard walls.The distance between the walls is varied. The chains exhibit a strong tendency to orientparallel to the walls and are flattened when being very close to them. This deviation of thepolymer structure with respect to the bulk is accompanied by an acceleration of local densityfluctuations. On the other hand, the diffusion coefficient of a chain remains unaffected.

scholarly journals A Hybrid Distance-Based Ideal-Seeking Consensus Ranking Model

2007 ◽  
Vol 2007 ◽  
pp. 1-18 ◽  
Author(s):  
Madjid Tavana ◽  
Frank LoPinto ◽  
James W. Smither
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Simple Model ◽  
Rank Order ◽  
Decision Makers ◽  
Science Literature ◽  
Ranking Model ◽  
Ranking Problems ◽  
Hybrid Distance ◽  
Kendall Method

Ordinal consensus ranking problems have received much attention in the management science literature. A problem arises in situations where a group of k decision makers (DMs) is asked to rank order n alternatives. The question is how to combine the DM rankings into one consensus ranking. Several different approaches have been suggested to aggregate DM responses into a compromise or consensus ranking; however, the similarity of consensus rankings generated by the different algorithms is largely unknown. In this paper, we propose a new hybrid distance-based ideal-seeking consensus ranking model (DCM). The proposed hybrid model combines parts of the two commonly used consensus ranking techniques of Beck and Lin (1983) and Cook and Kress (1985) into an intuitive and computationally simple model. We illustrate our method and then run a Monte Carlo simulation across a range of k and n to compare the similarity of the consensus rankings generated by our method with the best-known method of Borda and Kendall (Kendall 1962) and the two methods proposed by Beck and Lin (1983) and Cook and Kress (1985). DCM and Beck and Lin's method yielded the most similar consensus rankings, whereas the Cook-Kress method and the Borda-Kendall method yielded the least similar consensus rankings.

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