Effect of compression on the global optimization of atomic clusters
The optimization of atomic clusters by transformation of potential energy was discussed. The method showed the reduction of transition states on potential energy surfaces (PES). The Lennard-Jones clusters were optimized by a double funnel topography. The stationary points were reduced on PES in the...
| Main Author: | |
|---|---|
| Format: | Journal article |
| Language: | English |
| Published: |
American Inst of Physics
2000
|
| _version_ | 1797091659319607296 |
|---|---|
| author | Doye, J |
| author_facet | Doye, J |
| author_sort | Doye, J |
| collection | OXFORD |
| description | The optimization of atomic clusters by transformation of potential energy was discussed. The method showed the reduction of transition states on potential energy surfaces (PES). The Lennard-Jones clusters were optimized by a double funnel topography. The stationary points were reduced on PES in the first transformation and in the second transformation, Hopping algorithms were used to become PES increasingly dominant. |
| first_indexed | 2024-03-07T03:36:10Z |
| format | Journal article |
| id | oxford-uuid:bc5c3da7-c5d8-4dd8-8f09-7db229a10b75 |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-07T03:36:10Z |
| publishDate | 2000 |
| publisher | American Inst of Physics |
| record_format | dspace |
| spelling | oxford-uuid:bc5c3da7-c5d8-4dd8-8f09-7db229a10b752022-03-27T05:23:49ZEffect of compression on the global optimization of atomic clustersJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:bc5c3da7-c5d8-4dd8-8f09-7db229a10b75EnglishSymplectic Elements at OxfordAmerican Inst of Physics2000Doye, JThe optimization of atomic clusters by transformation of potential energy was discussed. The method showed the reduction of transition states on potential energy surfaces (PES). The Lennard-Jones clusters were optimized by a double funnel topography. The stationary points were reduced on PES in the first transformation and in the second transformation, Hopping algorithms were used to become PES increasingly dominant. |
| spellingShingle | Doye, J Effect of compression on the global optimization of atomic clusters |
| title | Effect of compression on the global optimization of atomic clusters |
| title_full | Effect of compression on the global optimization of atomic clusters |
| title_fullStr | Effect of compression on the global optimization of atomic clusters |
| title_full_unstemmed | Effect of compression on the global optimization of atomic clusters |
| title_short | Effect of compression on the global optimization of atomic clusters |
| title_sort | effect of compression on the global optimization of atomic clusters |
| work_keys_str_mv | AT doyej effectofcompressionontheglobaloptimizationofatomicclusters |