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Desjarlais MP 《Physical review letters》1987,59(20):2295-2298
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Conservative methods for the Toda lattice equations 总被引:1,自引:0,他引:1
We are concerned with the numerical integration of the Todalattice equations by using different conservative methods. Numericalexperiments suggest that the global error for isospectral schemesdecreases exponentially with time but it is almost constantfor either symplectic or more general integrators. We providea theoretical explanation for these experimental findings. 相似文献
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Herman van Vlijmen Renee L. Desjarlais Tara Mirzadegan 《Journal of computer-aided molecular design》2017,31(3):267-273
Computer-aided drug discovery activities at Janssen are carried out by scientists in the Computational Chemistry group of the Discovery Sciences organization. This perspective gives an overview of the organizational and operational structure, the science, internal and external collaborations, and the impact of the group on Drug Discovery at Janssen. 相似文献
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