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pro vyhledávání: '"Pujos, Justine S."'
Autor:
Pujos, Justine S., Maggs, A. C.
We study the properties of convex functionals which have been proposed for the simulation of charged molecular systems within the Poisson-Boltzmann approximation. We consider the extent to which the functionals reproduce the true fluctuations of elec
Externí odkaz:
http://arxiv.org/abs/1501.02210
Autor:
Pujos, Justine S., Maggs, A. C.
We review the use of Legendre transforms in the formulation of electrostatic energies in condensed matter. We show how to render standard functionals expressed in terms of the electrostatic potential, Phi, convex - at the cost of expressing them in t
Externí odkaz:
http://arxiv.org/abs/1211.6601
Publikováno v:
In Medical Engineering and Physics May 2018 55:25-33
Autor:
Pujos JS; Laboratoire PCT, Gulliver CNRS-ESPCI UMR 7083 , 10 rue Vauquelin, 75231 Paris Cedex 05, France., Maggs AC; Laboratoire PCT, Gulliver CNRS-ESPCI UMR 7083 , 10 rue Vauquelin, 75231 Paris Cedex 05, France.
Publikováno v:
Journal of chemical theory and computation [J Chem Theory Comput] 2015 Apr 14; Vol. 11 (4), pp. 1419-27.