Spectral accuracy in fast Ewald-based methods for particle simulations

Journal of Computational Physics

Volumn 230, Issue 24, 2011, Pages 8744-8761

  Lindbo, Dag ^a   Tornberg, Anna Karin ^a  

^a ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

Author keywords

Ewald summation; FFT; Molecular dynamics; PME; Spectral accuracy; SPME

Indexed keywords

ERRORS; FAST FOURIER TRANSFORMS; FREQUENCY DOMAIN ANALYSIS;

DECOUPLINGS; ELECTROSTATIC CALCULATIONS; EWALD SUMMATIONS; FAST METHODS; FREQUENCY DOMAINS; PARTICLE SIMULATIONS; PERIODIC BOUNDARY CONDITIONS; PME; SPECTRAL ACCURACY; SPME;

MOLECULAR DYNAMICS;

EID: 80053628839     PISSN: 00219991     EISSN: 10902716     Source Type: Journal    
DOI: 10.1016/j.jcp.2011.08.022     Document Type: Article

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