Simulated annealing on free energy surfaces by a combined molecular dynamics and Monte Carlo approach

1993 ◽  
Vol 97 (5) ◽  
pp. 1069-1073 ◽  
Author(s):  
Bruce Tidor
Keyword(s):  
Molecular Dynamics ◽  
Monte Carlo ◽  
Free Energy ◽  
Simulated Annealing ◽  
Monte Carlo Approach ◽  
Energy Surfaces

An Integrated Molecular Dynamics and Monte Carlo Approach to Study Epitaxial Deposition of Silicon

2001 ◽  
Vol 672 ◽  
Author(s):  
Sweta Somasi ◽  
Bamin Khomami ◽  
Ronald Lovett
Keyword(s):  
Molecular Dynamics ◽  
Monte Carlo ◽  
Time Scales ◽  
Atomistic Simulation ◽  
Effective Coverage ◽  
Monte Carlo Approach ◽  
Epitaxial Deposition

ABSTRACTThe length and time scales of an atomistic simulation are often too small for any direct comparison with experimental observations. In order to study the coverage of pits (COPs) found on the Si (100) surface by epitaxial deposition, we first calculate rate of individual steps using molecular dynamics and then define a sequence of Monte-Carlo steps to study the effect of various factors on effective coverage of COPs.

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