APPLICATION OF MACHINE LEARNING IN MOLECULAR STRUCTURE OPTIMIZATION AND NUDGED ELASTIC BAND PROCESS
Material structure optimization and transition structure finding using Nudged Elastic Band (NEB) method are one of the works in material simulation research to study the properties of materials. Unfortunately, the computational cost of material structure optimization and NEB are very high. In this...
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| Format: | Final Project |
| Language: | Indonesia |
| Online Access: | https://digilib.itb.ac.id/gdl/view/54742 |
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| Institution: | Institut Teknologi Bandung |
| Language: | Indonesia |