
The Alexandria Chemistry Toolkit (ACT) allows for global optimization of force fields for molecular simulation. That means that, in principle, a whole force field can be derived at once by training parameters to reproduce results from ab initio or density functional theory as well as experimental data when available. The software will be released in the near future on https://github.com/alexandriachemistry
| selected citations These citations are derived from selected sources. This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | 0 | |
| popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network. | Average | |
| influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | Average | |
| impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network. | Average |
