• KSII Transactions on Internet and Information Systems (TIIS)
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• v.14 no.2
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• pp.889-906
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• 2020

Analysis of multi-physics systems and the visualization of simulation data are crucial and difficult in computational science and engineering. In Korea, Korea Institute of Science and Technology Information KISTI developed EDISON, a web-based computational science simulation platform, and it is now the ninth year since the service started. Hitherto, the EDISON platform has focused on providing a robust simulation environment and various computational science analysis tools. However, owing to the increasing issues in collaborative research, data format standardization has become more important. In addition, as the visualization of simulation data becomes more important for users to understand, the necessity of analyzing input / output data information for each software is increased. Therefore, it is necessary to organize the data format and metadata for the representative software provided by EDISON. In this paper, we analyzed computational fluid dynamics (CFD) and computational structural dynamics (CSD) simulation software in the field of mechanical engineering where several physical phenomena (fluids, solids, etc.) are complex. Additionally, in order to visualize various simulation result data, we used existing web visualization tools developed by third parties. In conclusion, based on the analysis of these data formats, it is possible to provide a foundation of multi-physics and a web-based visualization environment, which will enable users to focus on simulation more conveniently.

• Molecular & Cellular Toxicology
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• v.4 no.1
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• pp.78-84
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• 2008

EGFR has been intensively investigated as a target to block the signal transduction pathway which stimulates cancer growth and metastasis. Studies about structure-activity relationship for tricyclic azepine derivatives were performed with topomer-CoMFA. The derived topomer-CoMFA model with steric and electrostatic field parameters based on fragment units gave reasonable statistics ($q^2$=0.561, $r^2$=0.679). The model explains why a halogen atom at the meta position of aniline is important to increases inhibitory activity. This comes from an electrostatically negative groups are favored near this region. The model also shows that there are sterically favored regions around methoxy group extended from oxazepine derivatives. The findings about steric and electrostatic effects can be utilized for designing new inhibitors.

• Proceedings of the Korean Vacuum Society Conference
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• 2009.02a
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• pp.218.2-218.2
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• 2009

• 한국전산유체공학회:학술대회논문집
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• 2006.05a
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• pp.367-367
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• 2006

• Journal of Internet Computing and Services
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• v.19 no.3
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• pp.57-66
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• 2018

EDISON ( EDucation-research Integration through Simulation On the Net) is a web simulation service based on cloud compu-ting. EDISON provides that web service and provide analysis result to users through pre-built infrastructure and various calcu-lation nodes computational science engineering problems that are difficult or impossible to analysis as user's personal resources to users. As a result, a simulation execution environment is provided in a web portal environment so that EDISON can be ac-cessed regardless of a user's device or operating system to perform computational science engineering analysis simulation. The purpose of this research is to design and construct a workbench based real - time dynamic service to provide an integrat-ed user interface to the EDSION system, which is a computational science engineering simulation and analysis platform, which is currently provided to users. We also devised a workbench-based user simulation service environment configuration. That has a user interface that is similar to the computational science engineering simulation software environment used locally. It can configure a dynamic web environment such as various analyzers, preprocessors, and simulation software. In order to provide these web services, the service required by the user is configured in portlet units, and as a result, the simulation service using the workbench is constructed.

• Journal of applied mathematics & informatics
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• v.27 no.3_4
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• pp.865-873
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• 2009

Goodman([3]) presented the question of finding a best possible upper bound of the form $t(G)\;+\;t(G^c)$, where t(G) denote the number of triangles in given graph G. In this, the form of squares of degrees is appeared and many researches have been pursued as an application related to this. Here, we would like to deal with corollary related to the results of Nikiforov([6]).

• Journal of the Korean earth science society
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• v.42 no.3
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• pp.344-364
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• 2021

The study explored how two elementary school teachers perceived computational thinking, reflected them into curriculum revision, and taught them in the classroom during longitudinal professional developed program (PDP) for nine months. Computational thinking is a new direction in educational policy-making including science education; therefore we planned to investigate participating teachers' perception of computational thinking to provide their fundamental understandings. Nine meetings, lasting about two hours each, were held with the participating teachers and they developed 11 lesson plans for one unit each, as they formed new understandings about computational thinking. Data were collected through PDP program while two teachers started perceiving computational thinking, revising their curriculum, and implementing it into their class for nine months. The results were as follows; first, elementary school teachers' perception of computational thinking was that the definition of scientific literacy as the purpose of science education was extended, i.e., it refers to scientific literacy to prepare students to be creative problem solvers. Second, STEAM (science, technology, engineering, arts, and mathematics) lessons were divided into two stages; concept formation stage where scientific thinking is emphasized, and concept application, where computational thinking is emphasized. Thirdly, computational thinking is a cognitive thinking process, and ICT (informational and communications technology) is a functional tool. Fourth, computational thinking components appear repeatedly and may not be sequential. Finally, STEAM education can be improved by utilizing computational thinking. Based on this study, we imply that STEAM education can be activated by computational thinking when teachers are equipped with competencies of understanding and implementing computational thinking within the systematic PDPs, which is very essential for newly policies.

• Steel and Composite Structures
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• v.27 no.3
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• pp.297-310
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• 2018

A simple and efficient numerical optimization approach for the lightweight optimal design of composite laminated beams is presented in this paper. The proposed procedure is a combination between the finite element method (FEM) and a global optimization algorithm developed recently, namely Jaya. In the present procedure, the advantages of FEM and Jaya are exploited, where FEM is used to analyze the behavior of beam, and Jaya is modified and applied to solve formed optimization problems. In the optimization problems, the objective aims to minimize the overall weight of beam; and fiber volume fractions, thicknesses and fiber orientation angles of layers are selected as design variables. The constraints include the restriction on the first fundamental frequency and the boundaries of design variables. Several numerical examples with different design scenarios are executed. The influence of the design variable types and the boundary conditions of beam on the optimal results is investigated. Moreover, the performance of Jaya is compared with that of the well-known methods, viz. differential evolution (DE), genetic algorithm (GA), and particle swarm optimization (PSO). The obtained results reveal that the proposed approach is efficient and provides better solutions than those acquired by the compared methods.

• Bulletin of the Korean Chemical Society
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• v.29 no.3
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• pp.647-655
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• 2008

Microsomal prostaglandin E2 synthase (mPGES-1) is a potent target for pain and inflammation. Various QSAR (quantitative structure activity relationship) analyses used to understand the factors affecting inhibitory potency for a series of MK886 analogues. We derived four QSAR models utilizing various quantum mechanical (QM) descriptors. These QM models indicate that steric, electrostatic and hydrophobic interaction can be important factors. Common pharmacophore hypotheses (CPHs) also have studied. The QSAR model derived by best-fitted CPHs considering hydrophobic, negative group and ring effect gave a reasonable result (q2 = 0.77, r2 = 0.97 and Rtestset = 0.90). The pharmacophore-derived molecular alignment subsequently used for 3D-QSAR. The CoMFA (Comparative Molecular Field Analysis) and CoMSIA (Comparative Molecular Similarity Indices Analysis) techniques employed on same series of mPGES-1 inhibitors which gives a statistically reasonable result (CoMFA; q2 = 0.90, r2 = 0.99. CoMSIA; q2 = 0.93, r2 = 1.00). All modeling results (QM-based QSAR, pharmacophore modeling and 3D-QSAR) imply steric, electrostatic and hydrophobic contribution to the inhibitory activity. CoMFA and CoMSIA models suggest the introduction of bulky group around ring B may enhance the inhibitory activity.

• 한국전산유체공학회:학술대회논문집
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• 2003.10a
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• pp.178-178
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• 2003