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Simulating Complex Systems without Adjustable Parameters
November/December 2000 (vol. 2 no. 6)
pp. 22-27
ASCII Text
x 
 
Michele Parrinello, "Simulating Complex Systems without Adjustable Parameters," Computing in Science and Engineering, vol. 2, no. 6, pp. 22-27, November/December, 2000.
 
 
BibTex
x
 
@article{ 10.1109/5992.881704,
author = {Michele Parrinello},
title = {Simulating Complex Systems without Adjustable Parameters},
journal ={Computing in Science and Engineering},
volume = {2},
number = {6},
issn = {1521-9615},
year = {2000},
pages = {22-27},
doi = {http://doi.ieeecomputersociety.org/10.1109/5992.881704},
publisher = {IEEE Computer Society},
address = {Los Alamitos, CA, USA},
}
 
 
RefWorks Procite/RefMan/Endnote
x 
 
TY - MGZN
JO - Computing in Science and Engineering
TI - Simulating Complex Systems without Adjustable Parameters
IS - 6
SN - 1521-9615
SP22
EP27
EPD - 22-27
A1 - Michele Parrinello,
PY - 2000
VL - 2
JA - Computing in Science and Engineering
ER -
 
The author reviews the principles on which molecular dynamics is based. He also illustrates how in combination with modern density functional theory for the electronic structures it provides a powerful tool for studying complex chemical processes without adjustable parameters.
Citation:
Michele Parrinello, "Simulating Complex Systems without Adjustable Parameters," Computing in Science and Engineering, vol. 2, no. 6, pp. 22-27, Nov./Dec. 2000, doi:10.1109/5992.881704
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