• Aucun résultat trouvé

Molecular simulations as test beds for bridging high throughput and high performance computing

N/A
N/A
Info
Télécharger
Protected

Academic year: 2021

Partager "Molecular simulations as test beds for bridging high throughput and high performance computing"

Copied!
151
0
0

Chargement.... (Voir le texte intégral maintenant)

Texte intégral

Figure

Table 1.1: List of the most diffused ab initio codes and their principals capabitlities.
Figure 1.2: The workflow of GEMS for the a priori modeling of chemical reactions.
Figure 1.3: The workflow of GEMS for the calculation of the kinetic parameter of chemical reactions.
Figure 1.4: HPTC workflow for a n-HPC to m-HTC general HPTC skeleton.
+7

Références

Télécharger maintenant ( PDF - 151 Page - 9.55 MB )

Documents relatifs