Effect of a Protein Electric Field on the CO Stretch Frequency. Finite Difference Poisson−Boltzmann Calculations on Carbonmonoxycytochromesc

1996 ◽  
Vol 100 (25) ◽  
pp. 10793-10801 ◽  
Author(s):  
Monique Laberge ◽  
Kim A. Sharp
Keyword(s):  
Finite Difference ◽  
Electric Field ◽  
Poisson Boltzmann

Combined Conformational Search and Finite-Difference Poisson?Boltzmann Approach for Flexible Docking

1994 ◽  
Vol 238 (3) ◽  
pp. 455-465 ◽  
Author(s):  
M. Zacharias ◽  
B.A. Luty ◽  
M.E. Davis ◽  
J.A. McCammon
Keyword(s):  
Finite Difference ◽  
Conformational Search ◽  
Flexible Docking ◽  
Poisson Boltzmann

scholarly journals A parallel finite‐difference approach for 3D transient electromagnetic modeling with galvanic sources

Geophysics ◽  
2004 ◽  
Vol 69 (5) ◽  
pp. 1192-1202 ◽  
Author(s):  
Michael Commer ◽  
Gregory Newman
Keyword(s):  
Magnetic Field ◽  
Finite Difference ◽  
Electric Field ◽  
Electric Fields ◽  
Time Derivative ◽  
Stable Solution ◽  
Parallel Computer ◽  
Staggered Grid ◽  
Electromagnetic Modeling ◽  
Transient Electromagnetic

A parallel finite‐difference algorithm for the solution of diffusive, three‐dimensional (3D) transient electromagnetic field simulations is presented. The purpose of the scheme is the simulation of both electric fields and the time derivative of magnetic fields generated by galvanic sources (grounded wires) over arbitrarily complicated distributions of conductivity and magnetic permeability. Using a staggered grid and a modified DuFort‐Frankel method, the scheme steps Maxwell's equations in time. Electric field initialization is done by a conjugate‐gradient solution of a 3D Poisson problem, as is common in 3D resistivity modeling. Instead of calculating the initial magnetic field directly, its time derivative and curl are employed in order to advance the electric field in time. A divergence‐free condition is enforced for both the magnetic‐field time derivative and the total conduction‐current density, providing accurate results at late times. In order to simulate large realistic earth models, the algorithm has been designed to run on parallel computer platforms. The upward continuation boundary condition for a stable solution in the infinitely resistive air layer involves a two‐dimensional parallel fast Fourier transform. Example simulations are compared with analytical, integral‐equation and spectral Lanczos decomposition solutions and demonstrate the accuracy of the scheme.

scholarly journals Reducing Grid Dependence in Finite-Difference Poisson–Boltzmann Calculations

2012 ◽  
Vol 8 (8) ◽  
pp. 2741-2751 ◽  
Author(s):  
Jun Wang ◽  
Qin Cai ◽  
Ye Xiang ◽  
Ray Luo
Keyword(s):  
Finite Difference ◽  
Poisson Boltzmann

On the Dynamics of the Weak Fréedericksz Transition for Nematic Liquid Crystals

2016 ◽  
Vol 20 (5) ◽  
pp. 1359-1380 ◽  
Author(s):  
Peder Aursand ◽  
Gaetano Napoli ◽  
Johanna Ridder
Keyword(s):  
Liquid Crystal ◽  
Finite Difference ◽  
Finite Difference Method ◽  
Electric Field ◽  
Excited States ◽  
Difference Method ◽  
Static Case ◽  
Director Field ◽  
Implicit Finite Difference ◽  
Anchoring Strength

AbstractWe propose an implicit finite-difference method to study the time evolution of the director field of a nematic liquid crystal under the influence of an electric field with weak anchoring at the boundary. The scheme allows us to study the dynamics of transitions between different director equilibrium states under varying electric field and anchoring strength. In particular, we are able to simulate the transition to excited states of odd parity, which have previously been observed in experiments, but so far only analyzed in the static case.

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