Potential energy optimization and Monte Carlo simulations of the first hyperpolarizability: a comparative study

2012 ◽  
Author(s):  
Shoresh Shafei ◽  
Mark G. Kuzyk
Keyword(s):  
Monte Carlo ◽  
Potential Energy ◽  
Comparative Study ◽  
Monte Carlo Simulations ◽  
Energy Optimization ◽  
First Hyperpolarizability

scholarly journals Theoretical Study of Rb2in HeN: Potential Energy Surface and Monte Carlo Simulations

2011 ◽  
Vol 115 (25) ◽  
pp. 6918-6926 ◽  
Author(s):  
Grégroire Guillon ◽  
Alexandre Zanchet ◽  
Markku Leino ◽  
Alexandra Viel ◽  
Robert E. Zillich
Keyword(s):  
Monte Carlo ◽  
Potential Energy ◽  
Potential Energy Surface ◽  
Monte Carlo Simulations ◽  
Energy Surface ◽  
Theoretical Study

scholarly journals TLD measurements and Monte Carlo simulations for glandular dose and scatter fraction assessment in mammography: A comparative study

2011 ◽  
Vol 46 (10) ◽  
pp. 1103-1108 ◽  
Author(s):  
S. Di Maria ◽  
S. Barros ◽  
J. Bento ◽  
P. Teles ◽  
C. Figueira ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Comparative Study ◽  
Monte Carlo Simulations ◽  
Scatter Fraction

Monte Carlo Comparative Study of Model Detergent and Lipid Aggregation on a Lattice

1998 ◽  
Vol 09 (06) ◽  
pp. 801-807 ◽  
Author(s):  
Claudio S. Shida ◽  
Vera B. Henriques
Keyword(s):  
Monte Carlo ◽  
Comparative Study ◽  
Monte Carlo Simulations ◽  
Specific Heat ◽  
Particle Energy ◽  
Model Systems ◽  
Square Lattice ◽  
Average Particle ◽  
Amphiphilic Molecules ◽  
Small Set

We have studied the aggregation of model amphiphilic molecules on a square lattice through Monte Carlo simulations via Metropolis. Amphiphilic molecules are modeled with a hydrophilic head represented by a small set of "water-loving" sites whereas the hydrophobic double-tail is represented by a second set of oil-loving sites. We have compared aggregation properties of single-stail (detergents) and double-tail (phospholipids) amphiphiles with equivalent hydrophobicity ratios. Equilibrium quantities such as average particle energy, specific heat, free amphiphile density show similar behavior for both model systems. The transition region associated with aggregation occurs at high temperatures for phospholipids as compared to detergents.

Monte Carlo simulations applied toAlxGayIn1−x−yXquaternary alloys(X=As,P,N): A comparative study

2005 ◽  
Vol 71 (20) ◽  
Author(s):  
M. Marques ◽  
L. G. Ferreira ◽  
L. K. Teles ◽  
L. M. R. Scolfaro
Keyword(s):  
Monte Carlo ◽  
Comparative Study ◽  
Monte Carlo Simulations
Sign in / Sign up

Export Citation Format

Share Document