نتایج جستجو برای: poisson boltzmann equation pbe

تعداد نتایج: 268004  

2015
Franziska Bertelshofer Liping Sun Günther Greiner Rainer A. Böckmann

Knowledge about the electrostatic potential on the surface of biomolecules or biomembranes under physiological conditions is an important step in the attempt to characterize the physico-chemical properties of these molecules and, in particular, also their interactions with each other. Additionally, knowledge about solution electrostatics may also guide the design of molecules with specified pro...

Journal: :Computer Aided Geometric Design 2001
Falai Chen Jianmin Zheng Thomas W. Sederberg

The mu-basis of a planar rational curve is a polynomial ideal basis comprised of two polynomials that greatly facilitates computing the implicit equation of the curve. This paper defines a mu-basis for a rational ruled surface, and presents a simple algorithm for computing the mu-basis. The mu-basis consists of two polynomials p(x, y, z, s) and q(x, y, z, s) that are linear in x, y, z and degre...

2008
Julia Eaton Anant P. Godbole Betsy Sinclair

Consider n players whose ‘‘scores’’ are independent and identically distributed values fXigi 1⁄4 1 from some discrete distribution F. We pay special attention to the cases where (i) F is geometric with parameter p-0 and (ii) F is uniform on f1;2; . . . ;Ng; the latter case clearly corresponds to the classical occupancy problem. The quantities of interest to us are, first, the U-statistic W whic...

2008
Glen Barnett Angela Tong Piet de Jong Leonie Tickle

We give a derivation of the frequentist predictive distribution for a simple Poisson model, show how this simple model may be adapted to fit a claim count triangle, and demonstrate how the predictive distribution of aggregates of future claim counts may be computed for the adapted model. Quantiles and prediction intervals are readily obtained. Quasi-Poisson models for incremental paid losses ar...

1998
S. Degl ’ Innocenti G. Fiorentini M. Lissia P. Quarati B. Ricci

Nuclear reactions in stars occur between nuclei in the high-energy tail of the energy distribution and are sensitive to possible deviations from the standard equilibrium thermal-energy distribution. We are able to derive strong constraints on such deviations by using the detailed helioseismic information of the solar structure. If a small deviation is parameterized with a factor exp{−δ(E/kT) 2 ...

2008
Hsien-Kuei Hwang Vytas Zacharovas

New uniform asymptotic approximations with error bounds are derived for a generalized total variation distance of Poisson approximations to the Poisson-binomial distribution. The method of proof is also applicable to other Poisson approximation problems. MSC 2000 Subject Classifications: Primary 62E17; secondary 60C05.

Journal: :Oper. Res. Lett. 1995
Michael A. Zazanis

We briefly describe sensitivity analysis methods for simulation via stochastic intensities and give applications on derivative estimation of event averages. We consider a process depending on a parameter and an event-counting process and obtain expressions for the derivatives of the expected number of events occurring while the process is in a given set. The necessary assumptions of these expre...

Journal: :Electr. J. Comb. 2004
Brendan D. McKay Nicholas C. Wormald Beata Wysocka

Consider random regular graphs of order n and degree d = d(n) ≥ 3. Let g = g(n) ≥ 3 satisfy (d− 1)2g−1 = o(n). Then the number of cycles of lengths up to g have a distribution similar to that of independent Poisson variables. In particular, we find the asymptotic probability that there are no cycles with sizes in a given set, including the probability that the girth is greater than g. A corresp...

2003
Sergiy Vasylkevych Jerrold E. Marsden JERROLD E. MARSDEN

This paper provides a precise sense in which the time t map for the Euler equations of an ideal fluid in a region in Rn (or a smooth compact n-manifold with boundary) is a Poisson map relative to the Lie-Poisson bracket associated with the group of volume preserving diffeomorphism group. This is interesting and nontrivial because in Eulerian representation, the time t maps need not be C from th...

2015
Weihua Geng

Abstract: Numerically solving the Poisson-Boltzmann equation is a challenging task due to the existence of the dielectric interface, singular partial charges representing the biomolecule, discontinuity of the electrostatic field, infinite simulation domains, etc. Boundary integral formulation of the Poisson-Boltzmann equation can circumvent these numerical challenges and meanwhile conveniently ...

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