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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 - | |||
DOI Bookmark: http://doi.ieeecomputersociety.org/10.1109/5992.881704
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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