A Multi-Dimensional Parallel Grid-Based Vlasov Solver for Kinetic Plasma Simulations

2022 ◽  
Author(s):  
Chen Cui ◽  
Joseph Wang
Keyword(s):  
Plasma Simulations ◽  
Grid Based

Reciprocal Polarizable Embedding with a Transferable H2O Potential Function I: Formulation & Tests on Dimer

2019 ◽  
Author(s):  
Elvar Jónsson ◽  
Asmus Ougaard Dohn ◽  
Hannes Jonsson
Keyword(s):  
Potential Function ◽  
Dft Method ◽  
Multipole Expansion ◽  
Energy Functional ◽  
Real Space ◽  
Functional Formulation ◽  
General Energy ◽  
Projector Augmented Wave ◽  
Grid Based ◽  
Polarizable Embedding

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.

Service and Application of Grid Based Distributed Spatial Outliers Mining

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