SLA Negotiation Protocol for Grid-Based Workflows

Author(s):  
Dang Minh Quan ◽  
Odej Kao
2020 ◽  
Vol 16 (6) ◽  
pp. 875
Author(s):  
Cai Zengyu ◽  
Wu Zuodong ◽  
Zhang Jianwei ◽  
Wang Wenqian

2019 ◽  
Author(s):  
Elvar Jónsson ◽  
Asmus Ougaard Dohn ◽  
Hannes Jonsson

This work describes a general energy functional formulation of a polarizable embedding QM/MM scheme, as well as an implementation where a real-space Grid-based Projector Augmented Wave (GPAW) DFT method is coupled with a potential function for H<sub>2</sub>O based on a Single Center Multipole Expansion (SCME) of the electrostatics, including anisotropic dipole and quadrupole polarizability.


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