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Computation, Volume 5, Issue 4

2017 December - 8 articles

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Articles (8)

  • Feature Paper
  • Review
  • Open Access
1 Citations
4,063 Views
6 Pages

The routinely made assumptions for simulating solid materials are briefly summarized, since they need to be critically assessed when new aspects become important, such as excited states, finite temperature, time-dependence, etc. The significantly hig...

(This article belongs to the Special Issue In Memory of Walter Kohn—Advances in Density Functional Theory)
  • Article
  • Open Access
25 Citations
5,932 Views
12 Pages

By reversing paradigms that normally utilize mathematical models as the basis for nonlinear adaptive controllers, this article describes using the controller to serve as a novel computational approach for mathematical system identification. System id...

(This article belongs to the Section Computational Engineering)
  • Article
  • Open Access
36 Citations
7,240 Views
26 Pages

A Holistic Scalable Implementation Approach of the Lattice Boltzmann Method for CPU/GPU Heterogeneous Clusters

  • Christoph Riesinger,
  • Arash Bakhtiari,
  • Martin Schreiber,
  • Philipp Neumann and
  • Hans-Joachim Bungartz

Heterogeneous clusters are a widely utilized class of supercomputers assembled from different types of computing devices, for instance CPUs and GPUs, providing a huge computational potential. Programming them in a scalable way exploiting the maximal...

(This article belongs to the Section Computational Engineering)
  • Feature Paper
  • Review
  • Open Access
2 Citations
4,674 Views
23 Pages

Dynamic Data-Driven Modeling for Ex Vivo Data Analysis: Insights into Liver Transplantation and Pathobiology

  • David Sadowsky,
  • Andrew Abboud,
  • Anthony Cyr,
  • Lena Vodovotz,
  • Paulo Fontes,
  • Ruben Zamora and
  • Yoram Vodovotz

Extracorporeal organ perfusion, in which organs are preserved in an isolated, ex vivo environment over an extended time-span, is a concept that has led to the development of numerous alternative preservation protocols designed to better maintain orga...

(This article belongs to the Section Computational Biology)
  • Article
  • Open Access
4 Citations
5,923 Views
18 Pages

Deformable Cell Model of Tissue Growth

  • Nikolai Bessonov and
  • Vitaly Volpert

This paper is devoted to modelling tissue growth with a deformable cell model. Each cell represents a polygon with particles located at its vertices. Stretching, bending and pressure forces act on particles and determine their displacement. Pressure-...

(This article belongs to the Section Computational Biology)
  • Article
  • Open Access
4,482 Views
20 Pages

We present a hierarchical coarse-graining framework for modeling semidilute polymer solutions, based on the wavelet-accelerated Monte Carlo (WAMC) method. This framework forms a hierarchy of resolutions to model polymers at length scales that cannot...

(This article belongs to the Special Issue Computation in Molecular Modeling)
  • Review
  • Open Access
3 Citations
4,204 Views
10 Pages

A self-organizing map (SOM) is an artificial neural network algorithm that can learn from the training data consisting of objects expressed as vectors and perform non-hierarchical clustering to represent input vectors into discretized clusters, with...

(This article belongs to the Section Computational Biology)
  • Feature Paper
  • Article
  • Open Access
3 Citations
5,096 Views
12 Pages

A Diagonally Updated Limited-Memory Quasi-Newton Method for the Weighted Density Approximation

  • Matthew Chan,
  • Rogelio Cuevas-Saavedra,
  • Debajit Chakraborty and
  • Paul W. Ayers

We propose a limited-memory quasi-Newton method using the bad Broyden update and apply it to the nonlinear equations that must be solved to determine the effective Fermi momentum in the weighted density approximation for the exchange energy density f...

(This article belongs to the Special Issue In Memory of Walter Kohn—Advances in Density Functional Theory)
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Computation - ISSN 2079-3197