Downloads provided by UsageCounts
Poster presented at NanoMaterMan symposium on the 16th May 2017 in Manchester UK. Advances in the synthesis of porous materials have introduced an enormous variety of possible materials for addressing issues such as carbon capture, catalysis and hydrogen storage. To evaluate these materials, a computational screening method is needed which will require GCMC simulations. However with a variety of programs available to do this, it is not clear which can be trusted and which will perform quickest. In this work we assess the computational performance of five freely available programs. We first quantify the rate of sampling by each program, then critically compare the performance of the programs.
Computational chemistry, GCMC simulation
Computational chemistry, GCMC simulation
| 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 |
| views | 4 | |
| downloads | 3 |

Views provided by UsageCounts
Downloads provided by UsageCounts