Using piecewise polynomials for faster potential function evaluation

DOI10.1016/j.jcp.2009.09.028zbMath1182.65018OpenAlexW1985168088MaRDI QIDQ2655688

Pedro Gonnet

Publication date: 25 January 2010

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.jcp.2009.09.028

zbMATH Keywords

Chebyshev polynomialsnumerical examplesMonte Carlo methodHorner schememolecular dynamicspotential functionpiecewise polynomial interpolation

Mathematics Subject Classification ID

Uses Software

• Gromacs
• DESMOND
• VTune
• NAMD2
• BRENT

Cites Work

• NAMD2: Greater scalability for parallel molecular dynamics
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