National Chiao Tung University Institute of Physics  
NCTU Institute of Physics
Introduction News Event Member Academic Affairs Laboratories Research area Links Contact
   
演講公告 MORE
  Optimized Multicanonical Monte Carlo Simulations
 

 

 
 

Time: 1:20pm, November 29 (Thursday)

Title: Optimized Multicanonical Monte Carlo Simulations

Speaker: Dr. A Rapallo
   (Istituto per lo Studio delle Macromolecole (ISMAC) Consiglio Nazionale delle Ricerche (CNR), Milano, Italy)

Place: Science Building III 1F SC157

Abstract:

Sampling in generalized statistical ensembles other than standard
microcanonical and canonical ones, has become a very popular mean
to study the thermodynamic properties of complex systems.
Based on the multicanonical approach and optimization of ensembles,
a method is presented allowing for accurate detection of the phase
transitions in metal nanoclusters and nanoalloys. The method is able to
detect the bottlenecks in the potential energy landscape and to perform
a more thorough sampling exactly in these critical regions relevant
to the phase transitions. Comparison with standard molecular dynamics
and canonical Monte Carlo are shown for Au clusters of different sizes.

 

 

     
 
Update: 2012/11/22
Contacts: Li-Chun Chen

 
   
 
1001 Ta Hsueh Road, Hsinchu,
Taiwan 300, ROC
TEL:(03) 5720810
FAX:(03) 5720728
Mail:f641126@mail.nctu.edu.tw
   lcchen@mail.nctu.edu.tw
Copyright (c) NCTU Institute of Physics All rights reserved.
HOME CHINESE CONTACT US SITEMAP NCTU