Subject: Question: Atom Num./Times of Simul. Tech.

From: [email-masked]
Date: Tue, 19 Jan 1999 17:34:52 -0500 (EST)

Hello, 

    Where might I obtain information about current 
ranges of atoms and time for different simulation 
methods? That is, molecular dynamics simulations       
might reasonably be used for models having between        
10 and (say) 10,000 atoms, in a time scale range of         
(again, say) 10 femto seconds to 100 picoseconds.          
What are these average values for ab initio, bond              
order, tight binding, molecular dynamics, monte carlo,            
and finite element simulations? Do these values differ                
if one studies polymers versus proteins versus                          
semiconductors? What are the most current high end                              
figures for such simulations on supercomputers?                                 
Does any organization track the values? Thanks                    
much for your help! 

                  Max Schaible  
                  [email-masked]