Data mining methods to improve MD simulations
97 p.
Saved in:
| Main Author: | |
|---|---|
| Other Authors: | |
| Format: | Theses and Dissertations |
| Published: |
2014
|
| Subjects: | |
| Online Access: | http://hdl.handle.net/10356/58046 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| Institution: | Nanyang Technological University |
| id |
sg-ntu-dr.10356-58046 |
|---|---|
| record_format |
dspace |
| spelling |
sg-ntu-dr.10356-580462023-03-11T17:16:24Z Data mining methods to improve MD simulations Chan, Hau Kong Wong Chee How School of Mechanical and Aerospace Engineering DRNTU::Engineering::Mechanical engineering 97 p. Data mining was investigated in this work as a possible means of improving MD simulations, which is often computationally expensive to perform. The approach used was to adopt artificial neural network as a way to model the inputs and outputs from MD simulations. A MD simulation was implemented to compute the change in positions of atoms in a palladium beam lattice structure under constant compressive load. The implementation allows a database of different configurations to be collected and used as training of a neural network. In addition, a neural network was also trained using data from different sizes of CNT under compressive load and its eventual buckling force. Master of Science (Mechanical Engineering) 2014-04-07T11:55:25Z 2014-04-07T11:55:25Z 2011 2011 Thesis http://hdl.handle.net/10356/58046 Nanyang Technological University application/pdf |
| institution |
Nanyang Technological University |
| building |
NTU Library |
| continent |
Asia |
| country |
Singapore Singapore |
| content_provider |
NTU Library |
| collection |
DR-NTU |
| topic |
DRNTU::Engineering::Mechanical engineering |
| spellingShingle |
DRNTU::Engineering::Mechanical engineering Chan, Hau Kong Data mining methods to improve MD simulations |
| description |
97 p. |
| author2 |
Wong Chee How |
| author_facet |
Wong Chee How Chan, Hau Kong |
| format |
Theses and Dissertations |
| author |
Chan, Hau Kong |
| author_sort |
Chan, Hau Kong |
| title |
Data mining methods to improve MD simulations |
| title_short |
Data mining methods to improve MD simulations |
| title_full |
Data mining methods to improve MD simulations |
| title_fullStr |
Data mining methods to improve MD simulations |
| title_full_unstemmed |
Data mining methods to improve MD simulations |
| title_sort |
data mining methods to improve md simulations |
| publishDate |
2014 |
| url |
http://hdl.handle.net/10356/58046 |
| _version_ |
1761781935703588864 |