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Steijl, R.; Barakos, George N.

Coupled Navier-Stokes - molecular dynamics simulations using a multi-physics flow simulation framework. (English) Zbl 1423.76369

Int. J. Numer. Methods Fluids 62, No. 10, 1081-1106 (2010).

MSC: 76M28 35Q30

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Gonnet, Pedro

Using piecewise polynomials for faster potential function evaluation. (English) Zbl 1182.65018

J. Comput. Phys. 229, No. 2, 313-324 (2010).

MSC: 65D05 65C05 82B80

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Mann, Geoff; Yun, R. H.; Nyland, Lars; Prins, Jan; Board, John; Hermans, Jan

The Sigma MD programm and a generic interface applicable to multi-functional programs with complex, hierarchical command structure. (English) Zbl 1138.92332

Schlick, Tamar (ed.) et al., Computational methods for macromolecules: Challenges and applications. Proceedings of the 3rd international workshop on algorithms for macromolecular modeling, New York, NY, USA, October 12–14, 2000. Berlin: Springer (ISBN 3-540-43756-8). Lect. Notes Comput. Sci. Eng. 24, 129-145 (2002).

MSC: 92C40 92-04 65C20

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Found 3 Documents (Results 1–3)

Coupled Navier-Stokes - molecular dynamics simulations using a multi-physics flow simulation framework. (English) Zbl 1423.76369

Using piecewise polynomials for faster potential function evaluation. (English) Zbl 1182.65018

The Sigma MD programm and a generic interface applicable to multi-functional programs with complex, hierarchical command structure. (English) Zbl 1138.92332

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