نتایج جستجو برای: iterative force field calculation
تعداد نتایج: 1095955 فیلتر نتایج به سال:
The vast majority of problems faced by bioinformatics are very complex and time consuming. They require the use of modern high-performance computational systems and the development of algorithms for such system. Heterogeneous computing systems which include graphics processing unit (GPU) occupy a separate niche. Such systems allow to accelerate solving of some task significantly. The task perfo...
In this paper we present a new highly efficient calculation method for the far field amplitude pattern that arises from scattering problems governed by the d-dimensional Helmholtz equation and, by extension, Schrödinger’s equation. The new technique is based upon a reformulation of the classical real-valued Green’s function integral for the far field amplitude to an equivalent integral over a c...
Prediction of hydrodynamic loads during water impact is of great significance in the structural design of flying vehicles. Also the importance of the slam force of waves on the members of offshore structures cannot be overemphasized. No theoretical tool is available to handle this complicated phenomenon exactly and the experimental procedures in the laboratory are both time-consuming and expens...
As a new type of magnetic transmission structure, asynchronous permanent magnet coupling has wide prospect application in mechanical field. This paper proposes squirrel cage combined with structural characteristics motor and motor. In order to study its field model characteristics, according nonlinear field, separate analytical iterative method is proposed decompose air gap on one hand, as sour...
our contribution in this paper is to propose an iterative algorithm which does not require prior knowledge of operator norm and prove a strong convergence theorem for approximating a solution of split equality fixed point problem for quasi-nonexpansive mappings in a real hilbert space. so many have used algorithms involving the operator norm for solving split equality fixed point problem, ...
Normal coordinate analysis of urea, thiourea and selenourea was performed on the basis of the general valence force field; Wilson's FG matrix method has been used. The final force fields were obtained through an iterative selfconsistent method. The vibrational assignment for these molecules is discussed. Calculated mean amplitudes of vibration for the urea series and their deuterated derivative...
A method is proposed to significantly accelerate the convergence of free-energy calculations. It introduces a bias factor in Monte Carlo simulations or, equivalently, a bias force in molecular dynamics simulations. The bias factor targets the energy gap, i.e., the difference in energy function between two states, and is therefore specifically designed for calculating free-energy differences. Th...
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