Generalized adaptive refinement for grid-based hexahedral meshing

2021 ◽  
Vol 40 (6) ◽  
pp. 1-13
Author(s):  
Luca Pitzalis ◽  
Marco Livesu ◽  
Gianmarco Cherchi ◽  
Enrico Gobbetti ◽  
Riccardo Scateni
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.


2011 ◽  
Vol 13 (3) ◽  
pp. 383-390
Author(s):  
Minjing YAO ◽  
Jiaxiang LIN ◽  
Chongcheng CHEN ◽  
Hengbing MA
Keyword(s):  

2014 ◽  
Vol 2 (1) ◽  
pp. 15-20
Author(s):  
Nancy Jain ◽  
◽  
Gunjan Jain ◽  
Brijesh Kumar Chaurasia ◽  
◽  
...  
Keyword(s):  

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