COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING: Advances in Computational Science: Lectures presented at the International Conference on Computational Methods in Sciences and Engineering 2008 (ICCMSE 2008)

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Name: COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING: Advances in Computational Science: Lectures presented at the International Conference on Computational Methods in Sciences and Engineering 2008 (ICCMSE 2008)

Latest articles from this conference

Takuya Minami, Hitoshi Fukui, Hiroshi Nagai, , , , , George Maroulis, Theodore E. Simos
AIP Conference Proceedings, Volume 1148; doi:10.1063/1.3225307

Abstract:
The exciton dynamics in a ring‐shaped aggregate complex model induced by circular‐polarized laser field has been investigated using the quantum master equation (QME) approach. We observe the recurrence motion of exiton after the irradiation of a circular‐polarized laser field. It is found that the circular‐polarized laser field makes it possible to shift the oscillation phase of the exciton recurrence and thus to cause the out‐of‐phase recurrence motion, while such unique recurrence dynamics disappears in the case of the irradiation of the linear‐polarized laser field. It also turns out that the direction of phase‐shift in exciton recurrence oscillation can be controlled by the rotation direction of the circular‐polarized laser field.
Daniel G. Schwartz, Jidong Long, George Maroulis, Theodore E. Simos
AIP Conference Proceedings, Volume 1148; doi:10.1063/1.3225448

Abstract:
Multi‐sensor intrusion detection systems (IDSs) combine the alerts raised by individual IDSs and possibly other kinds of devices such as firewalls and antivirus software. A critical issue in building a multi‐sensor IDS is alert‐correlation, i.e., determining which alerts are caused by the same attack. This paper explores a novel approach to alert correlation using case‐based reasoning (CBR). Each case in the CBR system’s library contains a pattern of alerts raised by some known attack type, together with the identity of the attack. Then during run time, the alert streams gleaned from the sensors are compared with the patterns in the cases, and a match indicates that the attack described by that case has occurred. For this purpose the design of a fast and accurate matching algorithm is imperative. Two such algorithms were explored: (i) the well‐known Hungarian algorithm, and (ii) an order‐preserving matching of our own device. Tests were conducted using the DARPA Grand Challenge Problem attack simulator. These showed that the both matching algorithms are effective in detecting attacks; but the Hungarian algorithm is inefficient; whereas the order‐preserving one is very efficient, in fact runs in linear time.
Chi Yung Yam, Fan Wang, Guanhua Chen, George Maroulis, Theodore E. Simos
AIP Conference Proceedings, Volume 1148, pp 662-668; doi:10.1063/1.3225398

Abstract:
A linear‐scaling time‐dependent density functional theory is developed. The equation of motion is solved for the reduced single‐electron density matrix in the real time domain. Chebyshev expansion is used for integration in time domain. Filter diagonalization is implemented to determine the excited state energies. The locality of the reduced single‐electron density matrix is utilized to ensure computational time scales linearly with system size. We summarize these methods in this brief review.
D. J. Klein, V. Rosenfeld, , George Maroulis, Theodore E. Simos
AIP Conference Proceedings, Volume 1148, pp 421-424; doi:10.1063/1.3225335

Abstract:
Substituents of a given type often are placeable in a sequential fashion at the sites of a fixed molecular skeleton. The differently substituted species form a collection of permutational isomers falling into a (substitution) reaction network, which may be viewed as a partially ordered set (or poset). When the substituent species are paired together (as so‐called “bidentate ligands”) to attach to neighbor sites, the permutational isomerism problem and associated reaction‐network poset is modified, as here illustrated. Extension of the ideas beyond the chemical context are noted.
Seimenis Ioannis, Sakas P. Damianos, Konstantopoulos Nikolaos
COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING: Advances in Computational Science: Lectures presented at the International Conference on Computational Methods in Sciences and Engineering 2008 (ICCMSE 2008) pp 897-900; doi:10.1063/1.3225463

Abstract:
This article examines the factors that affect the decision making of the training managers responsible in case of business communication field as they have emerged from the study of the decision that have taken place in the commercial sector in this specific Greek market. Previous researches have indicated the participation of a number of variables in this kind of decision. The aim of this article is to locate the main factors which determine, in the commercial sector the decision for the training of the employees in the field of business communication. On the basis of quality research, dynamic simulation model have been created for some of this main factors.
Mario Malcangi, George Maroulis, Theodore E. Simos
COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING: Advances in Computational Science: Lectures presented at the International Conference on Computational Methods in Sciences and Engineering 2008 (ICCMSE 2008), Volume 1148, pp 872-875; doi:10.1063/1.3225455

Abstract:
Personal authentication is becoming increasingly important in many applications that have to protect proprietary data. Passwords and personal identification numbers (PINs) prove not to be robust enough to ensure that unauthorized people do not use them. Biometric authentication technology may offer a secure, convenient, accurate solution but sometimes fails due to its intrinsically fuzzy nature. This research aims to demonstrate that combining two basic speech processing methods, voiceprint identification and speech recognition, can provide a very high degree of robustness, especially if fuzzy decision logic is used.
Stanislav Ustymenko, Daniel G. Schwartz, George Maroulis, Theodore E. Simos
COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING: Advances in Computational Science: Lectures presented at the International Conference on Computational Methods in Sciences and Engineering 2008 (ICCMSE 2008), Volume 1148, pp 847-850; doi:10.1063/1.3225449

Abstract:
This paper presents an architecture for a system that allows Semantic Web agents to reason within what has come to be known as the Web of Trust. We integrated reasoning about belief and trust, so agents can reason about information from different sources and deal with contradictions. Software agents interact to support users who publish, share and search for documents in a distributed repository. Each agent maintains an individualized topic taxonomy for the user it represents, updating it with information obtained from other agents. When new information leads to a contradiction, the agent performs a belief revision process informed by a degree of belief in a statement and a degree of trust an agent has for the information source.
Yu‐Ying Zhao
COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING: Advances in Computational Science: Lectures presented at the International Conference on Computational Methods in Sciences and Engineering 2008 (ICCMSE 2008) pp 832-835; doi:10.1063/1.3225445

Abstract:
In this paper, a 0–1 integer linear programming model is proposed to solve the weighted drug enzyme‐target identification problem and the experimental results suggest that for the drug enzyme‐target identification problem the weighted case is more reasonable than the un‐weighted case.
Noha A. Al‐Mulla
COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING: Advances in Computational Science: Lectures presented at the International Conference on Computational Methods in Sciences and Engineering 2008 (ICCMSE 2008) pp 800-815; doi:10.1063/1.3225440

Abstract:
In this paper, a stochastic perturbed nonlinear diffusion equation is studied under a stochastic nonlinear nonhomogeneity. The Pickard approximation method is used to introduce a reference first order approximate solution. Under different correction levels, the WHEP technique is used to obtain approximate solutions. Using Mathematica‐5, the solution algorithm is operated and several comparisons among correction levels together with error curves have been demonstrated. The method of solution is illustrated through case studies and figures.
M. R. Eskandari, H. KhajehAzad
COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING: Advances in Computational Science: Lectures presented at the International Conference on Computational Methods in Sciences and Engineering 2008 (ICCMSE 2008) pp 73-77; doi:10.1063/1.3225425

Abstract:
The jacobi coordinates is used to eliminate center of mass motion of three body systems. We write the results in hyperspherical coordinates and expand eigenfunction in a series of orthonormal complete set of Y kα i (Ω i ) in partition i of jacobi coordinates. The matrix elements of two body interaction potential in hyperspherical harmonic approach are determined exactly using computed analytical form of Raynal‐Revai coefficients to change the base set of Y kα i (Ω i ) to other set such as Y kα i (Ω j . The generalized Laguerre functions are used to change the second order coupled differential equations to set of non‐differential matrix equation. This is solved to find energy eigenvalues and eigenfunctions of three body molecules. The obtained analytical results are in a very good agreement with used computational method.
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