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International Workshop on Modeling in Software Engineering (MISE)

作者： Lidiane Damasceno Vera Maria B. Werneck Marcelo Schots Computational Science Master Program Universidade do Estado do Rio de Janeiro Brazil Informatics and Comp. Science Dept. Universidade do Estado do Rio de Janeiro Brazil

The use of Multiagent Systems (MAS) has been increasing over the years due to their capacity of dealing with problems in a variety of domains. The modeling of such systems is not trivial: besides the knowledge and skills on agent-oriented software engineering and a basic understanding of the target domain to be modeled, it demands familiarity with agent-oriented modeling methodologies. This is not always the case, though, especially for newcomers in the field. This work proposes a set of guidelines in the form of a questionnaire for the evaluation of MAS models, aiming at supporting the verification of their quality. The questionnaire is built upon the results of a systematic mapping conducted to identify how MAS models have been evaluated and what metrics have been used. The proposed guidelines were evaluated through (i) a peer review by experts and (ii) its actual application by graduate students applying modeling methodologies in the context of Guardian Angel (GA), a patient-centered health system that automatically supports patients suffering from chronic diseases. Participants provided an overall positive feedback and proposed some improvements on the questionnaire, most of which were promptly incorporated.

关键词： Measurement Context modeling Mathematical model Multi-agent systems Systematics Data models computational modeling

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Parameter Optimization of Support Vector Regression Using Harris Hawks Optimization

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Procedia Computer science 2021年 179卷 17-24页

作者： I Nyoman Setiawan Robert Kurniawan Budi Yuniarto Rezzy Eko Caraka Bens Pardamean Computational Statistics Department Polytechnic of Statistics - STIS Jakarta 13330 Indonesia Department of Information Management College of Informatics Chaoyang University of Technology Taiwan (ROC) Bioinformatics and Data Science Research Center Bina Nusantara University Indonesia 11530 Computer Science Department BINUS Graduate Program - Master of Computer Science Program Bina Nusantara University Jakarta Indonesia. 11530.

Support Vector Regression (SVR) is often used in forecasting. Adjustment of parameters in the SVR affects the results of forecasting. This study aims to analyze the SVR method that is optimized using Harris Hawks Optimization (HHO), hereinafter referred to as HHO-SVR. The HHO-SVR was evaluated using five benchmark datasets to determine the performance of this method. The HHO process is also compared based on the type of kernel and other metaheuristic algorithms. The results showed that the HHO-SVR has almost the same performance as other methods but is less efficient in terms of time. In addition, the type of kernel also affects the process and results.

关键词： SVR harris hawks optimization parameter optimization kernel forecasting

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The Study of Stability and Structure of the Interaction between ß-Carotene Compounds with Methanol, Ethanol, Acetone, Chloroform, Carbon Tetrachloride, Cyclohexane, and N-Hexane using the Hartree-Fock and the Density Functional Theory Method 7

The Study of Stability and Structure of the Interaction betw...

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7th Annual International Seminar on Trends in science and science Education, AISTSSE 2020

作者： Nugraha, Asep Wahyu Muchtar, Zainuddin Jahro, Iis Siti Sutiani, Ani Nasution, Haqqi Annazili Ivansyah, Atthar Luqman Chemistry Department Faculty of Mathematics and Natural Sciences Universitas Negeri Medan Willem Iskandar V Medan Estate Medan20222 Indonesia Master Program in Computational Science Faculty of Mathematics and Natural Sciences Institut Teknologi Bandung Ganesha 10 Bandung40132 Indonesia Analytical Chemistry Division Department of Chemistry Faculty of Mathematics and Natural Sciences Institut Teknologi Bandung Ganesha 10 Bandung40132 Indonesia

The purpose of this study was to determine the stability and structure on the interaction between ß-carotene compounds with methanol, ethanol, acetone, chloroform, carbon tetrachloride, cyclohexane, and n-hexane compounds. This research is a molecular modeling using computational chemistry calculations with the function/basis set RHF/3-21G and B3LYP/3-21G. The computational chemistry calculations used Gaussian 09 Revision D 01 and visualization used the Jmol and Avogadro software. The data obtained from computational chemistry calculations with the function/basis set RHF/3-21G on the interaction between ß-carotene -methanol compounds are ?E = -11.899 kJ / mol, ß-carotene -ethanol ?E = -12.256 kJ/mol, ß-carotene -acetone ?E = -9.276 kJ/mol, ß-carotene -chloroform ?E = 5.262 kJ/mol, ß-carotene -carbon tetrachloride ?E = 3.747 kJ/mol, ß-carotene-cyclohexane ?E = 2.691 kJ/mol, ß-carotene-n-hexane ?E = 6.453 kJ/mol. The data obtained with the function/basis set B3LYP/3-21G on the interaction between ß-carotene-methanol compounds are ?E = -24.588 kJ/mol, ß-carotene -ethanol ?E = -25.123 kJ/mol, ß-carotene -acetone ?E = -18.140 kJ/mol, ß-carotene -chloroform ?E = 2.255kJ/mol, ß-carotene -carbon tetrachloride ?E = -1.187 kJ/mol, ß-carotene-cyclohexane ?E = -0.801 kJ/mol, ß-carotene -hexane ?E = -0.412 kJ/mol. Based on the analysis of thermodynamic data from computational chemistry calculations with the function / basis set UHF/3-21G and B3LYP/3-21G, it was found that ß-carotene-ethanol and ß-carotene-methanol mixtures had very stable mixtures. © Published under licence by IOP Publishing Ltd.

关键词： computational chemistry

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New insight into pyrrolic-N site effect towards the first NIR window absorption of pyrrolic-N-rich carbon dots

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Nano Research 2023年第4期16卷 6001-6009页

作者： Fitri Aulia Permatasari Reza Umami Citra Deliana Dewi Sundari Tirta Rona Mayangsari Atthar Luqman Ivansyah Fahdzi Muttaqien Takashi Ogi Ferry Iskandar Department of Physics Faculty Mathematics and Natural SciencesInstitut Teknologi BandungJalan Ganesha 10BandungWest Java 40132Indonesia Collaboration Research Center for Advanced Energy Materials National Research and Innovation Agency-Institut Teknologi BandungJalan Ganesha 10BandungWest Java 40132Indonesia Department of Chemistry Faculty of Mathematics and Natural SciencesInstitut Teknologi BandungJl.Ganesha 10BandungWest Java 40132Indonesia Department of Chemistry Education UIN Sunan Gunung Djati BandungJl.CimincrangBandungWest Java 40292Indonesia Department of Chemistry Universitas PertaminaJakarta 12220Indonesia Master Program in Computational Science Faculty of Mathematics and Natural SciencesInstitut Teknologi BandungJl.Ganesha 10BandungWest Java 40132Indonesia Instrumentation and Computational Physics Research Group Faculty of Mathematics and Natural SciencesInstitut Teknologi BandungJl.Ganesha 10Bandung 40132Indonesia Research Center for Nanoscience and Nanotechnology Institut Teknologi BandungJalan Ganesha 10BandungWest Java 40132Indonesia Chemical Engineering Program Department of Advanced Science and EngineeringGraduate School of Advanced Science and EngineeringHiroshima UniversityHigashi-Hiroshima 739-8527Japan

Controlled C-N configurations,i.e.,pyrrolic-N,pyridinic-N,and graphitic-N,are promising strategies to tailor the carbon dots’(CDs)optical properties into the first near infrared(NIR)window(650-900 nm),a responsive range for biomedical ***,a deep understanding of the role of the C-N configuration in the CDs’properties is still challenging and thoughtprovoking owing to their complex ***,an underlying pyrrolic-N concentration and position effect on the pyrrolic-N-rich CDs’absorption was comprehensively elucidated based on the integrated experimental and computational *** assynthesized pyrrolic-N-rich CDs exhibit a first NIR window absorption centered at 650 nm with high photothermal ***-N concentrations from 1.4%to 11.3%and positions(edge and mid-site)were systematically investigated.A mid-site pyrrolic-N was subsequently generated after the pyrrolic-N concentration more than 10%.Edge-site pyrrolic-N induces a frontier orbital hybridization,reducing bandgap energy,while mid-site pyrrolic-N plays a critical role in inducing a first NIR window absorption owing to their high charge ***,pyrrolic-N-rich CDs inherit a bowl-like topological feature,elevating the CDs’layer thickness as much as 0.71 *** study shed light on the design and optimization of pyrrolic-N on CDs for the first NIR window responsive materials in any biomedical application.

关键词： absorption carbon dots charge transfer first near infrared(NIR)window frontier orbital hybridization mid-site pyrrolic-N

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The study of structural properties and photocatalytic activity of ZnO prepared by ultrasonic assisted precipitation method 2

The study of structural properties and photocatalytic activi...

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2nd Annual Conference of science and Technology, ANCOSET 2020

作者： Sanusi, S. Setiadji, S. Hakim, N.D. Aziz, S.H.R.A. Sawitri, A. Aliah, H. Hadisantoso, E.P. Ivansyah, A.L. Syarif, D.G. Department of Chemistry Faculty of Science and Technology UIN Sunan Gunung Djati Bandung Jl. A.H. Nasution No.105 Bandung Indonesia Department of Physics Faculty of Science and Technology UIN Sunan Gunung Djati Bandung Jl. A.H. Nasution No.105 Bandung Indonesia Master Program in Computational Science Faculty of Mathematic and Natural Science Institut Teknologi Bandung Jl. Ganesha No. 10 Bandung Indonesia Lab. of Material Physics Badan Tenaga Atom Nasional Jl. Taman Sari Bandung No.71 Bandung Indonesia

ZnO is a semiconductor that has excellent activity as photocatalyst under UV light region. ZnO is precipitated by adding oxalate acid onto zinc acetate dehydrate solution with ultrasonic assisted at various times and flattened at 500 °C. The structural properties of the ZnO samples are characterized by X-Ray Diffraction (XRD) and Brunauer-Emmett-Teller (BET). XRD result has confirmed the ZnO structure as hexagonal phase. Rietveld refinement of XRD pattern by La Beil method is employed to analyze the lattice parameters of ZnO. It provides that ZnO as wurtzite with accurate values. Debye-scherrer equation examines the crystallite size. It is confirmed that the crystallite size of ZnO is decreased by ultrasonic assisted at precipitation. BET result shows that ultrasonic assisted could increase the surface area of ZnO, which are 45.64 m2/g of ZnO without ultrasonic assisted and 143,487 m2/g of ZnO with ultrasonic assisted along 2 hours. The photocatalyst experiment is set up to analyze the photocatalytic activity of ZnO for degradation of methylene blue under UV light irradiation. By significantly that decolorization of methylene blue occurred at pH 10 for 30 minutes irradiation. The photocatalytic activity for ZnO samples with an hour and 2 hours ultrasonic assisted are 79.54 % and 86.50 % respectively, whereas ZnO sample without ultrasonic assisted is 70.90 %, and almost all of methylene blue contaminant have done degraded successfully after 120 minutes irradiation. According to the results, the structural properties and photocatalytic activity of ZnO are increased as consequence to the presence of ultrasonic assisted on precipitation. © Published under licence by IOP Publishing Ltd.

关键词： Zinc oxide

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Biclustering Method to Capture the Spatial Pattern and to Identify the Causes of Social Vulnerability in Indonesia: A New Recommendation for Disaster Mitigation Policy

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Procedia Computer science 2019年 157卷 31-37页

作者： Puspita Anggraini Kaban Robert Kurniawan Rezzy Eko Caraka Bens Pardamean Budi Yuniarto Sukim Computational Statistics Department Polytechnic of Statistics - STIS Jakarta 13330 Indonesia Bioinformatics and Data Science Research Center Bina Nusantara University Indonesia College of Informatics Chaoyang University of Technology Taichung City 41349 Taiwan (R.O.C.) Computer Science Department BINUS Graduate Program Master of Computer Science Bina Nusantara University Jakarta Indonesia 11480

Geographically, Indonesia is a meeting point of three continental plates. Scilicet, the Eurasian Plate, the Indo-Australian Plate, and the Pacific Plate. Therefore, Indonesia is part of the infamous volcanic zone called the ”Ring of Fire” and one of the areas prone to natural disasters such as volcanic eruptions, earthquakes, tsunamis, floods, and landslides. This study aims to capture the spatial pattern and identify the causes of social vulnerability in the districts/cities in Indonesia using the biclustering method. The data is extracted from the Indonesian National Socio-Economic Survey (SUSENAS) by BPS-Statistics in 2014. The biclustering result indicates that each district/city has its own social vulnerability characteristics and shows that the vulnerable aspects of each district/city are different. The adjacent observations tend to have social vulenrability characteristics. The results of this study can be used as a reference for national disaster mitigation policy in Indonesia.

关键词： biclustering disaster mitigation social vulnerability SoVI spatial pattern

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Effect of Nickel on the Hydroxide Ion Adsorption of Copper Sulfide: A viewpoint from a first-principle calculation 2

Effect of Nickel on the Hydroxide Ion Adsorption of Copper S...

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2nd TALENTA-International Conference on science and Technology, TALENTA-ICST 2020

作者： Irham, M.A. Muttaqien, F. Bisri, S.Z. Iskandar, F. Electronics Material Physics Research Group Faculty of Mathematics and Natural Sciences Institut Teknologi Bandung Jl. Ganesha 10 Bandung40132 Indonesia Instrumentation and Computational Physics Research Group Faculty of Mathematics and Natural Sciences Institut Teknologi Bandung Jl. Ganesha 10 Bandung40132 Indonesia Master Program in Computational Science Faculty of Mathematics and Natural Sciences Institut Teknologi Bandung Jl. Ganesha 10 Bandung40132 Indonesia RIKEN Center for Emergent Matter Science 2-1 Hirosawa Saitama Wako351-0198 Japan Research Center for Nanosciences and Nanotechnology Institut Teknologi Bandung Jl. Ganesha 10 Bandung 40132 Indonesia

Supercapacitor gains so much interest in recent years due to its capabilities to provide high power densities with high energy density possibilities. Several transition metal sulfides (TMS) give the best capacitance results nowadays, with Copper Sulfides (CuS) promising candidates on supercapacitor electrodes materials. Several approaches have been made to increase TMS-based supercapacitor performance, such as doping, surface functionalization, and nanostructuring. Even though several dopants already reported, other dopants have not yet explored. In this study, we study the nickel effect as dopant on the binding energy of electrolyte in the surface of CuS from first-principles viewpoints. In this study, we limit our investigation of surface interaction with electrolyte only for OH- ions. We prove that the binding energy of electrolyte is increased after introducing dopant in the surface of CuS, which could explain of dopant effect and background proof of future research in this field. © 2023 Institute of Physics Publishing. All rights reserved.

关键词： Copper compounds

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Preparation of reduced Graphene Oxide (rGO) assisted by microwave irradiation and hydrothermal for reduction methods 3

Preparation of reduced Graphene Oxide (rGO) assisted by micr...

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3rd Annual Applied science and Engineering Conference, AASEC 2018

作者： Setiadji, S. Nuryadin, B.W. Ramadhan, H. Sundari, C.D.D. Sudiarti, T. Supriadin, A. Ivansyah, A.L. Department of Chemistry Faculty of Science and Technology UIN Sunan Gunung Djati Bandung Jl. A.H. Nasution No.105 Bandung West Java40614 Indonesia Department of Physics Faculty of Science and Technology UIN Sunan Gunung Djati Bandung Jl. A.H. Nasution No.105 Bandung West-Java40614 Indonesia Department of Chemistry Education UIN Sunan Gunung Djati Bandung Jl. Cimincrang Cimenerang Panyileukan West-Java Bandung40292 Indonesia Master Program in Computational Science Faculty of Mathematic and Natural Science Institut Teknologi Bandung Jl. Ganesha No. 10 West-Java Bandung40132 Indonesia

Graphite is a natural carbon source that can be used for graphene synthesis because of its abundant availability and relatively low cost. In this research, Graphene Oxide (GO) and reduced Graphene Oxide (rGO) have been prepared through modified Hummers method that uses microwave irradiation and hydrothermal process as reduction methods. This research can be divided into two main steps, i.e. preparation of GO and preparation of rGO. The preparation of GO was done using modified Hummers method that refers to graphite powder oxidation for five days. Then, preparation of rGO was done using two methods, i.e. microwave irradiation for 8 minutes at 1,000 watts and hydrothermal process for 10 hours at 200°C. The characterization of the samples was observed by Fourier-Transform Infrared Spectroscopy (FTIR), X-Ray Diffraction (XRD), Scanning Electron Microscope (SEM) and Ultraviolet-Visible Spectroscopy (UV-Vis). XRD pattern of GO sample shows a peak at 2θ = 10.63°, rGO sample from hydrothermal process at 2θ = 25.94°, and rGO sample from microwave irradiation method at 2θ = 25.94° with low intensity and at 2θ = 10.63° that indicates the presence of GO. IR spectroscopy data shows an absorption peak of aromatic C=C at 1,573 cm-1 that indicates rGO formation. SEM images of GO illustrates a structure of stacked flakes. While the morphology of rGO has a structure of stacked flakes that is more transparent than GO. According to UV-Vis spectroscopy, GO and rGO of samples show absorption peak at λmax = 225 nm and λmax = 274 nm, respectively, which indicates π→π∗ transition of aromatic C=C bond. Based on the results of this study, the preparation of rGO using modified Hummers that combined with hydrothermal reduction method is more effective than microwave irradiation reduction method. © Published under licence by IOP Publishing Ltd.

关键词： Microwave irradiation

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Molecular docking simulation of interaction between insulin and silica nanoparticle 2

Molecular docking simulation of interaction between insulin ...

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2nd Annual Conference of science and Technology, ANCOSET 2020

作者： Hertadi, R. Ivansyah, A.L. Biochemistry Research Group Department of Chemistry Faculty of Mathematics and Natural Sciences Institut Teknologi Bandung Jl. Ganesha No. 10 Bandung40132 Indonesia Master Program in Computational Science Faculty of Mathematics and Natural Sciences Institut Teknologi Bandung Jl. Ganesha No. 10 Bandung40132 Indonesia Analytical Chemistry Research Group Department of Chemistry Faculty of Mathematics and Natural Sciences Institut Teknologi Bandung Jl. Ganesha No. 10 Bandung40132 Indonesia

Molecular docking simulation has been done in this research by using Hex version 8.0 software package, respectively, to explore the interaction between insulin and silica nanoparticle. Silica nanoparticle acts as receptor and insulin acts as ligand in this research. It was found that insulin form more stable interaction when it is in the pore of silica nanochannel than on the surface of silica nanosheet. Insulin prefer to interact with silica atoms than oxygen atoms in the pore of silica nanochannel © Published under licence by IOP Publishing Ltd.

关键词： Insulin

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Synthesis of zeolite ZSM-11 using bamboo leaf as silica source 3

Synthesis of zeolite ZSM-11 using bamboo leaf as silica sour...

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3rd Annual Applied science and Engineering Conference, AASEC 2018

作者： Setiadji, S. Nurazizah, I.S. Sundari, C.D.D. Darmalaksana, W. Nurbaeti, D.F. Novianti, I. Azizah, T.B.N. Abdurrahman, D. Ivansyah, A.L. Department of Chemistry Faculty of Science and Technology UIN Sunan Gunung Djati Bandung Jl. A.H. Nasution No.105 Bandung West Java40614 Indonesia Department of Chemistry Education UIN Sunan Gunung Djati Bandung Jl. Cimincrang Cimenerang Panyileukan West-Java Bandung40292 Indonesia Research Center UIN Sunan Gunung Djati Bandung Jl. A.H. Nasution No.105 Bandung West Java40614 Indonesia Master Program in Computational Science Faculty of Mathematic and Natural Science InstitutTeknologi Bandung Jl.Ganesha No. 10 Bandung West Java40132 Indonesia

Zeolite ZSM-11 is a synthesized zeolite that has catalytic properties and the ability to adsorb easily. In zeolite synthesis, various precursors are used and one of them is silica. The silica used in this study is silica isolated from agricultural waste, namely bamboo leaf. Bamboo leaves have a high silica content, thus have potential to be used as silica source for zeolite synthesis. The silica was obtained by isolation from bamboo leaves using NaOH solution. The silica isolated from bamboo leaf isolation has a purity percentage of 57.1%. The synthesis of zeolite ZSM-11 using silica derived from bamboo leaves was performed with a molar ratio of 1 SiO2: 0.56 TBAOH: 40 H2O using hydrothermal method at 170 ° C for 2 days. Synthesized zeolites were characterized using XRD, FTIR and SEM. XRD analysis results show Zeolite ZSM-11 with crystalline phase. The FTIR analysis results show the characteristic zeolite ZSM-11 absorption peaks. And the result of SEM analysis got coffin-shaped form with hexagonal-shaped crystal lattice. © Published under licence by IOP Publishing Ltd.

关键词： Silica

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