| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5381587 | Chemical Physics Letters | 2013 | 4 Pages |
Abstract
- The PP-LBFGS algorithm introduces parallelization at the level of the optimization.
- It converges 2-4Ã faster than a serial LBFGS.
- Efficient implementation allows application to very large molecular systems.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Jakub Klemsa, Jan ÅezáÄ,