نتایج جستجو برای: explicit and implicit solvation models

تعداد نتایج: 16933240  

2001
Ted Ruffman Wendy Garnham Dan Connolly

Three-year-olds sometimes look to the correct location but give an incorrect verbal answer in a false belief task. We examined whether correct eye gaze among 3to 5-yearold children indexed unconscious knowledge or low confidence conscious knowledge. Children “bet” counters on where they thought a story character would go. If children were conscious of the knowledge conveyed by their eye gaze th...

2013
Yannick Versley

Current approaches to recognizing discourse relations rely on a combination of shallow, surfacebased features (e.g., bigrams, word pairs), and rather specialized hand-crafted features. As a way to avoid both the shallowness of word-based representations and the lack of coverage of specialized linguistic features, we use a graph-based representation of discourse segments, which allows for a more...

2015
Vildan Gülkaç

This article deals with finitedifference schemes of two-dimensional heat transfer equations with moving boundary. The method is suggested by solving sample problem in two-dimensional solidification of square prism. The finite-difference scheme improved for this goal is based on the Douglas equation. The results are devised for a two-dimensional model and crosschecked with results of the earlier...

1998
Andrew W. P. Guy Mark Tigges

This paper discuss practical issues and implementation details on improving e ciency of ray intersection calculations of implicit surfaces using interval analysis. We examine two methods of improving the basic method described in [8]: a new technique for calculating intervals along a ray; and a method for spatial pruning based on the work in [7]. Comparisons are drawn between the di erent techn...

Journal: :Int. J. Computational Intelligence Systems 2014
Aida Jarraya Philippe Leray Afif Masmoudi

The Bayesian estimation of the conditional Gaussian parameter needs to define several a priori parameters. The proposed approach is free from this definition of priors. We use the Implicit estimation method for learning from observations without a prior knowledge. We illustrate the interest of such an estimation method by giving first the Bayesian Expectation A Posteriori estimator for conditio...

Journal: :Multiscale Modeling & Simulation 2005
Muruhan Rathinam Linda R. Petzold Yang Cao Daniel T. Gillespie

We develop a theory of local errors for the explicit and implicit tau-leaping methods for simulating stochastic chemical systems, and we prove that these methods are first-order consistent. Our theory provides local error formulae that could serve as the basis for future stepsize control techniques. We prove that, for the special case of systems with linear propensity functions, both tau-leapin...

Journal: :CoRR 2013
Adrian Sandu Michael Günther

This work generalizes the additively partitioned Runge-Kutta methods by allowing for different stage values as arguments of different components of the right hand side. An order conditions theory is developed for the new family of generalized additive methods, and stability and monotonicity investigations are carried out. The paper discusses the construction and properties of implicit-explicit ...

Journal: :Symmetry 2017
Yalan Zhang Xiaojuan Ban Xiaokun Wang Xing Liu

In this paper, a symmetry particle method, the smoothed particle hydrodynamics (SPHs) method, is extended to deal with non-Newtonian fluids. First, the viscous liquid is modeled by a non-Newtonian fluid flow and the variable viscosity under shear stress is determined by the Carreau-Yasuda model. Then a pressure correction method is proposed, by correcting density error with individual stiffness...

Journal: :The Journal of chemical physics 2005
Artëm Masunov Sergei Tretiak Janice W Hong Bin Liu Guillermo C Bazan

We use first-principles quantum-chemical approaches to study absorption and emission properties of recently synthesized distyrylbenzene (DSB) derivative chromophores and their dimers (two DSB molecules linked through a [2.2]paracyclophane moiety). Several solvent models are applied to model experimentally observed shifts and radiative lifetimes in Stokes nonpolar organic solvents (toluene) and ...

In this paper the derivation of the second differentiation of a general yield surface implicit time stepping method along with its consistent elastic-plastic modulus is studied. Moreover, the explicit, trapezoidal implicit and fully implicit time stepping schemes are compared in rate-dependant plasticity. It is shown that implementing fully implicit time stepping scheme in rate-dependant plasti...

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