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Items: 1 to 20 of 89

1.
2.

Interlaced P3M algorithm with analytical and ik-differentiation.

Neelov A, Holm C.

J Chem Phys. 2010 Jun 21;132(23):234103. doi: 10.1063/1.3430521.

PMID:
20572685
3.

Optimizing working parameters of the smooth particle mesh Ewald algorithm in terms of accuracy and efficiency.

Wang H, Dommert F, Holm C.

J Chem Phys. 2010 Jul 21;133(3):034117. doi: 10.1063/1.3446812.

PMID:
20649318
4.

P3M algorithm for dipolar interactions.

Cerdà JJ, Ballenegger V, Lenz O, Holm C.

J Chem Phys. 2008 Dec 21;129(23):234104. doi: 10.1063/1.3000389.

PMID:
19102523
5.

On mesh-based Ewald methods: optimal parameters for two differentiation schemes.

Stern HA, Calkins KG.

J Chem Phys. 2008 Jun 7;128(21):214106. doi: 10.1063/1.2932253.

PMID:
18537414
6.

How to Convert SPME to P3M: Influence Functions and Error Estimates.

Ballenegger V, Cerdà JJ, Holm C.

J Chem Theory Comput. 2012 Mar 13;8(3):936-47. doi: 10.1021/ct2001792. Epub 2012 Feb 27.

PMID:
26593356
7.

The optimal P3M algorithm for computing electrostatic energies in periodic systems.

Ballenegger V, Cerda JJ, Lenz O, Holm Ch.

J Chem Phys. 2008 Jan 21;128(3):034109. doi: 10.1063/1.2816570.

PMID:
18205490
8.

On the Numerical Accuracy of Ewald, Smooth Particle Mesh Ewald, and Staggered Mesh Ewald Methods for Correlated Molecular Systems.

Wang H, Zhang P, Schütte C.

J Chem Theory Comput. 2012 Sep 11;8(9):3243-56. doi: 10.1021/ct300343y. Epub 2012 Aug 13.

PMID:
26605733
9.

Extension and evaluation of the multilevel summation method for fast long-range electrostatics calculations.

Moore SG, Crozier PS.

J Chem Phys. 2014 Jun 21;140(23):234112. doi: 10.1063/1.4883695.

PMID:
24952528
10.
12.

Interlacing technique approach for the synthesis of kinoforms.

Yang S, Shimomura T.

Appl Opt. 1996 Dec 10;35(35):6983-9. doi: 10.1364/AO.35.006983.

PMID:
21151297
13.

Staggered Mesh Ewald: An extension of the Smooth Particle-Mesh Ewald method adding great versatility.

Cerutti DS, Duke RE, Darden TA, Lybrand TP.

J Chem Theory Comput. 2009 Sep 8;5(9):2322.

14.
15.

[Effect of powder's particle size on the quantitative prediction of volatile oil content in Zanthoxylum bungeagum by NIR technique].

Zhu SP, Wang G, Yang F, Kan JQ, Guo J, Qiu QM.

Guang Pu Xue Yu Guang Pu Fen Xi. 2008 Apr;28(4):775-9. Chinese.

PMID:
18619296
16.

Multilevel summation for dispersion: a linear-time algorithm for r(-6) potentials.

Tameling D, Springer P, Bientinesi P, Ismail AE.

J Chem Phys. 2014 Jan 14;140(2):024105. doi: 10.1063/1.4857735.

PMID:
24437863
17.

Dosimetric adjustments for interspecies extrapolation of inhaled poorly soluble particles (PSP).

Jarabek AM, Asgharian B, Miller FJ.

Inhal Toxicol. 2005 Jun-Jul;17(7-8):317-34.

PMID:
16020031
18.

A discontinuous Galerkin method to solve chromatographic models.

Javeed S, Qamar S, Seidel-Morgenstern A, Warnecke G.

J Chromatogr A. 2011 Oct 7;1218(40):7137-46. doi: 10.1016/j.chroma.2011.08.005. Epub 2011 Aug 18.

PMID:
21890141
19.

Inherent speedup limitations in multiple time step/particle mesh Ewald algorithms.

Barash D, Yang L, Qian X, Schlick T.

J Comput Chem. 2003 Jan 15;24(1):77-88.

PMID:
12483677
20.

On the use of higher-order azimuthal schemes in 3-D PE modeling.

Sturm F, Fawcett JA.

J Acoust Soc Am. 2003 Jun;113(6):3134-45.

PMID:
12822785
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