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Journal articles on the topic 'Computer simulations'

Author: Grafiati

Published: 4 June 2021

Last updated: 25 July 2025

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1

Minssen, Timo, and Mateo Aboy. "The Patentability of Computer-Implemented Simulations and Implications for Computer-Implemented Inventions (CIIs)." Journal of Intellectual Property Law & Practice 16, no. 7 (2021): 633–35. http://dx.doi.org/10.1093/jiplp/jpab098.

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Abstract G 1/19 (Simulations), Enlarged Board of Appeal of the European Patent Office, 10 March 2021 The Enlarged Board of Appeal of the European Patent Office (EPO) held that a computer-implemented simulation of a technical system or process which is claimed as such can, for the purpose of assessing inventive step, solve a technical problem by producing a technical effect going beyond the simulation’s implementation on a computer; and that the established case law on computer-implemented inventions (COMVIK approach) applies to computer-implemented simulations even if these do not have an outp

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Pias, Claus. "On the Epistemology of Computer Simulation." ZMK Zeitschrift für Medien- und Kulturforschung 2/1/2011: Offene Objekte 2, no. 1 (2011): 29–54. http://dx.doi.org/10.28937/1000107521.

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"Der Aufsatz plädiert dafür, die Geschichte der wissenschaftlichen Computersimulation auf eine spezifisch medienhistorische Weise zu untersuchen. Nach einigen Vorschlägen zur Charakterisierung der Besonderheiten von Computersimulationen werden zwei Beispiele interpretiert (Management-Simulationen der 1960er und verkehrstechnische bzw. epidemiologische Simulationen der 1990er). Daraus leiten sich Fragen nach dem veränderten Status wissenschaftlichen Wissens, nach der Genese wissenschaftstheoretischer Konzepte und nach wissenschaftskritischen Optionen ab. </br></br>The paper suggests

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Doan, N. V., and F. Rossi. "Computer Simulations." Solid State Phenomena 30-31 (January 1992): 75–106. http://dx.doi.org/10.4028/www.scientific.net/ssp.30-31.75.

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4

Kowalski, L. "Computer Simulations." Physics Today 38, no. 5 (1985): 9–11. http://dx.doi.org/10.1063/1.2814549.

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Bork, Alfred. "Computer Simulations." Physics Today 38, no. 12 (1985): 100. http://dx.doi.org/10.1063/1.2814836.

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Humphreys, Paul. "Computer Simulations." PSA: Proceedings of the Biennial Meeting of the Philosophy of Science Association 1990, no. 2 (1990): 497–506. http://dx.doi.org/10.1086/psaprocbienmeetp.1990.2.193093.

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McROBERTS, SUSAN. "Computer Simulations." Clinical Nurse Specialist 19, no. 3 (2005): 111–12. http://dx.doi.org/10.1097/00002800-200505000-00003.

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Algimantas, FEDARAVIČIUS, RAČKAUSKAS Saulius, and SURVILA Arvydas. "Numerical Study on Internal Ballistics Characteristics of a Solid Propellant Rocket Motor." Mechanics 25, no. 3 (2019): 187–96. http://dx.doi.org/10.5755/j01.mech.25.3.23742.

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The viability of numerical simulations to design a solid propellant rocket motor, as opposed to static testing, is discussed in this paper. The results demonstrate that an objectively more detailed insight into the processes taking place within the motor in active combustion can be gained by employing computer simulations. The abundance of readily available computing power allows complex simulations to be run on personal desktop computers, thus, saving money by eliminating the need for static testing during the design phase of the motor. The computer simulation results are validated by a compa

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Jones, Ken. "Using Computer-Assisted Simulations and Avoiding Computer-Hindered Simulations." Simulation & Gaming 22, no. 2 (1991): 234–38. http://dx.doi.org/10.1177/1046878191222008.

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Ben Boumediane, Manar, Oumaima Azzi, and Rachid Janati-Idrissi. "ENHANCING PHYSICS EDUCATION." Conhecimento & Diversidade 17, no. 45 (2025): 608–28. https://doi.org/10.18316/rcd.v17i45.12486.

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This study delves into the advantages of incorporating computer simulations, mainly the PhET simulator, in instructing Newton's laws in contrast to conventional teaching approaches. The research revealed that students who engaged with the simulator exhibited enhanced comprehension of the Newtonian concepts. Additionally, educators noted the simulator's ease of use and efficacy in conveying Newtonian mechanics. The investigation involved examining 120 students from two schools in Morocco, with one group utilizing computer simulations and the other adhering to traditional teaching methods. The n

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Wu, Qing, Maksym Spiryagin, Ingemar Persson, Chris Bosomworth, and Colin Cole. "Parallel computing of wheel-rail contact." Proceedings of the Institution of Mechanical Engineers, Part F: Journal of Rail and Rapid Transit 234, no. 10 (2019): 1109–16. http://dx.doi.org/10.1177/0954409719880737.

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Railway wheel–rail contact simulations are the most important and time-consuming tasks when simulating the system dynamics of vehicles. Parallel computing is a good approach for improving the numerical computing speed. This paper reports the advances in parallel computing of the wheel–rail contact simulations. The proposed method uses OpenMP to parallelise the multiple contact points of all the wheel–rail interfaces of a locomotive model. The method has been implemented in the vehicle system dynamics simulation package GENSYS. Simulations were conducted using two numerical solvers (4th Runge-K

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Nazaré, Thalita E., Erivelton G. Nepomuceno, Samir A. M. Martins, and Denis N. Butusov. "A Note on the Reproducibility of Chaos Simulation." Entropy 22, no. 9 (2020): 953. http://dx.doi.org/10.3390/e22090953.

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An evergreen scientific feature is the ability for scientific works to be reproduced. Since chaotic systems are so hard to understand analytically, numerical simulations assume a key role in their investigation. Such simulations have been considered as reproducible in many works. However, few studies have focused on the effects of the finite precision of computers on the simulation reproducibility of chaotic systems; moreover, code sharing and details on how to reproduce simulation results are not present in many investigations. In this work, a case study of reproducibility is presented in the

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Janczarek, Marcin, and Ewa Kowalska. "Computer Simulations of Photocatalytic Reactors." Catalysts 11, no. 2 (2021): 198. http://dx.doi.org/10.3390/catal11020198.

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Photocatalysis has been considered future technology for green energy conversion and environmental purification, including carbon dioxide reduction, water splitting, air/water treatment, and antimicrobial purposes. Although various photocatalysts with high activity and stability have already been found, the commercialization of photocatalytic processes seems to be slow; it is thought that the difficulty in scaling up photocatalytic processes might be responsible. Research on the design of photocatalytic reactors using computer simulations has been recently intensive. The computer simulations i

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de Oliveira, Paulo Murilo Castro. "Evolutionary computer simulations." Physica A: Statistical Mechanics and its Applications 306 (April 2002): 351–58. http://dx.doi.org/10.1016/s0378-4371(02)00512-5.

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15

Agatonović, Miloš. "Computer Simulations as Fiction in Science." Balkan Journal of Philosophy 14, no. 1 (2022): 5–10. http://dx.doi.org/10.5840/bjp20221412.

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The present paper intends to show that computer simulations used in science are akin to fiction. Starting from the problem of defining computer simulation, the paper discusses the uses and disadvantages of simulations in science. Computer simulations have a representational function, but they do not resemble the phenomena that they purport to represent. Computer simulations do not preserve the content of the models, input data, and theories from which they proceed, since the content is modified by computational processes. Because of the complexities of these processes, we cannot control or tes

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Lasquety-Reyes, Jeremiah A. "Towards Computer Simulations of Virtue Ethics." Open Philosophy 2, no. 1 (2019): 399–413. http://dx.doi.org/10.1515/opphil-2019-0029.

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AbstractThis article presents two approaches for computer simulations of virtue ethics in the context of agent-based modeling, a simple way and a complex way. The simple way represents virtues as numeric variables that are invoked in specific events or situations. This way can easily be implemented and included in social simulations. On the other hand, the complex way requires a PECS framework: physical, cognitive, emotional, and social components need to be implemented in agents. Virtue is the result of the interaction of these internal components rather than a single variable. I argue that t

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Becker, Liane, and Daniel C. Dreesmann. "Simulating Environmental Issues: New Digital Tools to Teach Biology In Silico." Sustainability 15, no. 19 (2023): 14325. http://dx.doi.org/10.3390/su151914325.

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Computers have been an indispensable part of human working and private life for decades, and in classrooms the use of digital devices and tools is increasing as a result of digitalization. In this study, we aimed to test the potential of computer simulations as digital tools in biology lessons to convey environmental issues. For this purpose, we conducted an online survey and evaluated 137 responses from German high-school students between 14 and 20 years of age. We asked the students about their attitude towards computer simulations as digital tools in biology lessons and tested the students’

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Lindenschmidt, K. E., F. B. Hesser, and M. Rode. "Integrating water quality models in the High Level Architecture (HLA) environment." Advances in Geosciences 4 (August 9, 2005): 51–56. http://dx.doi.org/10.5194/adgeo-4-51-2005.

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Abstract. HLA (High Level Architecture) is a computer architecture for constructing distributed simulations. It facilitates interoperability among different simulations and simulation types and promotes reuse of simulation software modules. The core of the HLA is the Run-Time Infrastructure (RTI) that provides services to start and stop a simulation execution, to transfer data between interoperating simulations, to control the amount and routing of data that is passed, and to co-ordinate the passage of simulated time among the simulations. The authors are not aware of any HLA applications in t

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DOBRESCU, GIANINA, M. RUSU, and M. VASS. "COMPUTER SIMULATIONS OF FRACTAL SURFACES: APPLICATION IN ADSORPTION." Fractals 01, no. 03 (1993): 430–38. http://dx.doi.org/10.1142/s0218348x93000459.

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A computer program which is able to simulate adsorption on fractal surfaces was developed. The fractal surfaces are generated as Takagi surfaces. The computer program is based on a DLA-algorithm. Adsorption was simulated in different conditions: 1. equivalent active sites (homogeneous surfaces); 2. active sites with different adsorption probabilities; the probability associated with every active site is computed using a van der Waals potential. Our simulation allows us to explore the actual structure of the gas-solid interface and to study the sensitivity to energetic disorder. The fractal dim

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20

Adavize, Momoh Hameed, and Mohammed Ahmed. "Assessing hardware-driven variations from workstations to personal computers in gate simulation time for radioembolization studies." Science World Journal 20, no. 1 (2025): 181–85. https://doi.org/10.4314/swj.v20i1.24.

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Monte Carlo GATE (Geant4 Application for Tomographic Emission) is widely used in medical physics for tomographic emission simulations, particularly in nuclear medicine procedures like radioembolization for liver cancer treatment. Despite its userfriendly interface, GATE simulations are often criticized for their slow computational speed, which poses challenges for students and researchers. Factors such as computer hardware (RAM, CPU, GPU, storage type), simulation settings, and the complexity of physics modeling significantly influence simulation times. This study investigates how hardware con

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21

Rosler, Martha. "Image Simulations Computer Manipulations." Afterimage 17, no. 4 (1989): 7–11. http://dx.doi.org/10.1525/aft.1989.17.4.7.

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Moore, Moreton. "Computer simulations of dislocations." Crystallography Reviews 22, no. 2 (2015): 141–42. http://dx.doi.org/10.1080/0889311x.2015.1084507.

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23

Power, H., and R. T. Hart. "Computer Simulations in Biomedicine." Journal of Clinical Engineering 21, no. 1 (1996): 30. http://dx.doi.org/10.1097/00004669-199601000-00009.

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24

Menon, Madhu, and Roland E. Allen. "Computer simulations of chemisorption." Progress in Surface Science 25, no. 1-4 (1987): 317–31. http://dx.doi.org/10.1016/s0079-6816(87)80022-9.

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Voigtman, Edward. "Computer simulations in spectrometry." Analytica Chimica Acta 246, no. 1 (1991): 9–22. http://dx.doi.org/10.1016/s0003-2670(00)80661-3.

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Wassermann, B., and T. P. Martin. "Computer simulations of photoionization." Zeitschrift f�r Physik D Atoms, Molecules and Clusters 12, no. 1-4 (1989): 173–75. http://dx.doi.org/10.1007/bf01426931.

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Beauvais, Glenn E., David H. Boal, and James Glosli. "Computer simulations of fragmentation." Nuclear Physics A 471, no. 1-2 (1987): 427–47. http://dx.doi.org/10.1016/0375-9474(87)90267-3.

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Biersack, J. P. "Computer simulations of sputtering." Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 27, no. 1 (1987): 21–36. http://dx.doi.org/10.1016/0168-583x(87)90005-x.

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29

Barberousse, Anouk, Sara Franceschelli, and Cyrille Imbert. "Computer simulations as experiments." Synthese 169, no. 3 (2008): 557–74. http://dx.doi.org/10.1007/s11229-008-9430-7.

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30

SEVERAL AUTHORS, SEVERAL AUTHORS. "ChemInform Abstract: Computer Simulations." ChemInform 29, no. 37 (2010): no. http://dx.doi.org/10.1002/chin.199837281.

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31

Möring, Sebastian. "The Metaphor-Simulation Paradox in the Study of Computer Games." International Journal of Gaming and Computer-Mediated Simulations 5, no. 4 (2013): 48–74. http://dx.doi.org/10.4018/ijgcms.2013100103.

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This article discusses the metaphor-simulation paradox in the study of computer games. It is derived from three observations. Firstly, often when authors use the concept of metaphor with regard to games they use it in conceptual and textual vicinity to the concept of simulation. Secondly, the concept of metaphor is often applied to signify seemingly abstract games in opposition to mimetic simulations. Both observations can be made within an artgame discourse of the study of computer games as well as within the more general discourse of the study of computer games. Thirdly, however, the definit

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Hinterwaldner, Inge. "Systems Perspectivation as a General Basis for Computer Simulations." Leonardo 52, no. 1 (2019): 23–29. http://dx.doi.org/10.1162/leon_a_01410.

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The author proposes a theoretical framework for better understanding the scope of expression of interactive computer simulations. As programmed processes, simulations embody the logic of systems as conceived by systems theory. Here, this basis is seen as a kind of pre-forming perspectivation on a general level, leading to certain characteristics of simulated dynamics (differing from other modes of conceptualizing processes). It is crucial for epistemological questions as well as simulation practices to recognize the specificity of the kind of processes producible by simulations and to be consc

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Wang, Joseph, Yong Cao, Raed Kafafy, and Viktor Decyk. "Electric Propulsion Plume Simulations Using Parallel Computer." Scientific Programming 15, no. 2 (2007): 83–94. http://dx.doi.org/10.1155/2007/272431.

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A parallel, three-dimensional electrostatic PIC code is developed for large-scale electric propulsion simulations using parallel supercomputers. This code uses a newly developed immersed-finite-element particle-in-cell (IFE-PIC) algorithm designed to handle complex boundary conditions accurately while maintaining the computational speed of the standard PIC code. Domain decomposition is used in both field solve and particle push to divide the computation among processors. Two simulations studies are presented to demonstrate the capability of the code. The first is a full particle simulation of

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Khamdamov, Timur V., and Mikhail Yu Voloshin. "Conceptualizing Computer Simulations in Philosophy of Science." Epistemology & Philosophy of Science 58, no. 2 (2021): 151–69. http://dx.doi.org/10.5840/eps202158234.

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In the modern Russian philosophy, discussions about the phenomenon of computer simulations in the scientific research practice of conducting experiments are just beginning to pass the stage of initiation in small interdisciplinary groups studying this new direction for the philosophy of science. At the same time, in Western philosophy by the current moment there have been formed entire directions for the study of computer simulations. Different groups of researchers in different ways form ideas about the basic characteristics of simulations: from skeptical views on their nature, which are of n

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Kok, Bethany E., Declan Dagger, Conor Gaffney, and Austin Kenny. "Experiential Learning at Scale with Computer-Based Roleplay Simulations." International Journal of Advanced Corporate Learning (iJAC) 11, no. 2 (2018): 24. http://dx.doi.org/10.3991/ijac.v11i2.9364.

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<p class="0BodyText">Experiential learning is an effective method for changing behavior and teaching new material at work. Unfortunately, experiential learning is difficult to deliver at scale as it requires hands-on participation and interactivity.</p><p class="0BodyText">EmpowerTheUser (ETU)’s computer-based roleplay simulations enable experiential learning at scale. In a simulation, learners take on a role and have to react to various situations and make choices that have downsteam consequences. ETU Simulations engage the learner in cycles of assessment and practice, with

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Rajamanickam, Rangaswamy, Steven M. Hansen, and Sundaresan Jayaraman. "A Computer Simulation Approach for Engineering Air-Jet Spun Yarns." Textile Research Journal 67, no. 3 (1997): 223–30. http://dx.doi.org/10.1177/004051759706700311.

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A computer simulation approach for engineering air-jet spun yarns is proposed, and the advantages of computer simulations over experimental investigations and stand-alone mathematical models are discussed. Interactions of the following factors in air-jet spun yarns are analyzed using computer simulations: yarn count and fiber fineness, fiber tenacity and fiber friction, fiber length and fiber friction, and number of wrapper fibers and wrap angle. Based on the results of these simulations, yarn engineering approaches to optimize strength are suggested.

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Kalua, Amos, and James Jones. "Epistemological Framework for Computer Simulations in Building Science Research: Insights from Theory and Practice." Philosophies 5, no. 4 (2020): 30. http://dx.doi.org/10.3390/philosophies5040030.

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Computer simulations are widely used within the area of building science research. Building science research deals with the physical phenomena that affect buildings, including heat and mass transfer, lighting and acoustic transmission. This wide usage of computer simulations, however, is characterized by a divergence in thought on the composition of an epistemological framework that may provide guidance for their deployment in research. This paper undertakes a fundamental review of the epistemology of computer simulations within the context of the philosophy of science. Thereafter, it reviews

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Apritasari, Yaseri Dahlia. "Experimental Research with Computer Simulation (Case Study Of Urban Cool Island)." International Journal of Built Environment and Scientific Research 7, no. 1 (2023): 41. http://dx.doi.org/10.24853/ijbesr.7.1.41-50.

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This research will describe experimental research methodology using computer simulation with the case study of urban cool island research. The urban cool island is one of the urban heat island mitigation technology strategies. This technology uses a geometric and material intervention process that forms an urban cool island in an area with high urban heat island intensity. The urban cool island will expand and reduce the temperature of the hot islands so that the urban heat island gets smaller. In the research process, a series of experimental methodologies were carried out. Experimental metho

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DE SOUZA FERREIRA, LUCAS, and ÁLVARO DE ALMEIDA CAPARICA. "COMPUTER SIMULATIONS OF A POLYMER WITH EXACT SOLUTION." International Journal of Modern Physics C 23, no. 08 (2012): 1240012. http://dx.doi.org/10.1142/s0129183112400128.

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In this work we apply a refined Wang–Landau simulation to a simple polymer model which has an exact solution both in the microcanonical and the canonical formalisms. We investigate the behavior of the microcanonical and canonical averages during the Wang–Landau simulation. The simulations were carried out using conventional Wang–Landau sampling (WLS) and the 1/t scheme. Our results show that updating the density of states only after every N monomer moves leads to a much better precision. During the simulations the canonical averages such as the location of the maximum of the specific heat calc

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Vorländer, Michael. "Recent Progress in Room Acoustical Computer Simulations." Building Acoustics 4, no. 4 (1997): 229–46. http://dx.doi.org/10.1177/1351010x9700400401.

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In the last decade computer simulations of sound fields in rooms have been developed for application in research and consulting. Some programs are commercially available. Most computer models are based on geometrical room acoustics and/or on statistical (radiosity) methods, thus not including wave phenomena such as diffraction. The uncertainty of typical simulation software was investigated in an international verification test in 1994 and 1995. The results were partly promising although some programs were not as reliable as the operators expected. These round robin tests have been continued u

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Sussman, Daniel, and Joseph Lowman. "Hard-copy versus Computer Presentation of the SuperShrink Interview Simulation." Teaching of Psychology 16, no. 4 (1989): 227–30. http://dx.doi.org/10.1207/s15328023top1604_17.

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The effects of realism and perceived control on student satisfaction with the SuperShrink interview simulation were investigated via a 2 × 2 comparison of active/passive and computer/hard-copy conditions. Students rated the computer versions as more satisfying and as promoting a greater sense of realism than the printed materials. Students perceived having more control in the active than the passive conditions, but this perception was not accompanied by differences in satisfaction. These data suggest that computers are superior to hard-copy simulations of human interaction, perhaps because the

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Wang, A. T. "Finite-Simulation Error Bounds for Estimated K-Year Forces." Journal of Offshore Mechanics and Arctic Engineering 111, no. 4 (1989): 273–77. http://dx.doi.org/10.1115/1.3257095.

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Computer simulations have been used frequently to calculate design loads associated with a specific return period for offshore structures. However, two important questions persistently confront engineers who simulate load events on computers to estimate k-year forces: 1) How accurate is the estimated k-year force (say, 100-yr force) obtained through a computer simulation of n years (e.g., n = 1000) compared to that which would result from a much longer simulation? 2) When can we stop a computer simulation? Or how many simulation years are needed to reach a specified level of reliability for a

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Иванов, Иван, Ivan Ivanov, Алексей Кусков, and Aleksey Kuskov. "Computer simulations as interactive method training In the course of preparation bachelors of law." Advances in Law Studies 5, no. 2 (2017): 105–17. http://dx.doi.org/10.12737/article_5963a1792cd883.48472757.

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The aim of the article is to examine the computer simulations as one of the interactive methods of training and formulate proposals for their effective use in training bachelors of law. The authors have chosen the basis of the research methodology a systematic approach using formal-logical method as well as methods of theoretical knowledge and empirical research. As a result, the authors formulated the definition of legal computer simulation, classified these simulations. The authors proposed a scheduling algorithm and conduct classes with the use of computer simulations. There are conclusions

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Afzal, Muhammad Javaid, Muhammad Waseem Ashraf, Shahzadi Tayyaba, Akhtar Hussain Jalbani, and Farah Javaid. "Computer Simulation Based Optimization of Aspect Ratio for Micro and Nanochannels." Mehran University Research Journal of Engineering and Technology 39, no. 4 (2020): 779–91. http://dx.doi.org/10.22581/muet1982.2004.10.

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For Computational Fluidic Dynamics (CFD) analysis, different types of software are available such as ANSYS, COMSOL, GAMBIT and ABAQUS. ANSYS FLUENT is a very influential CFD software that enables the researchers to execute advanced and fast simulation as the performance of product is optimized. In this research work, the capabilities of ANSYS FLUENT have been investigated through the fluidic simulation of nano scale channels. Here, the simulation of three straight shaped and one curvilinear nano channel has been performed to analyze the precision of simulation with the aspect ratio of smaller

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Bartelmus, Walter. "Transformation of Gear Inter-Teeth Forces into Acceleration and Velocity." International Journal of Rotating Machinery 5, no. 3 (1999): 203–18. http://dx.doi.org/10.1155/s1023621x99000184.

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The paper deals with mathematical modelling and computer simulation of a gearbox system. Results of computer simulation show new possibilities of extended interpretation of a diagnostic acceleration signal if signal is obtained by synchronous summation. Four groups of factors: design, production technology, operation, change of gear condition are discussed. Results of computer simulations give the relation between inter-teeth forces and vibration (acceleration, velocity). Some results of computer simulations are referred to the results obtained in rig measurements and in field practice. The pa

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Lewandowsky, Stephan. "The Rewards and Hazards of Computer Simulations." Psychological Science 4, no. 4 (1993): 236–43. http://dx.doi.org/10.1111/j.1467-9280.1993.tb00267.x.

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Although computer simulations and other modeling tools have assumed a pivotal role in cognitive psychology, their utility continues to be questioned by some psychologists. This article presents several examples that illustrate both rewards and potential hazards associated with the simulation approach. Simulations can provide the formal framework necessary to disambiguate new ideas, they can explore the implications of complex models, and they can predict seemingly counterintuitive findings or uncover hidden relationships. At the same time, care must be taken to avoid pitfalls that may arise wh

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Proffen, Th, R. B. Neder, and S. J. L. Billinge. "Teaching diffraction using computer simulations over the Internet." Journal of Applied Crystallography 34, no. 6 (2001): 767–70. http://dx.doi.org/10.1107/s0021889801013656.

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Computer simulations are a versatile tool to enhance the teaching of diffraction physics and related crystallographic topics to students of chemistry, materials science, physics and crystallography. Interactive computer simulations are presented, which have been added to a World Wide Web (WWW) based tutorial. A simple WWW interface is used to choose appropriate values for selected simulation parameters. The resulting structure and diffraction pattern are then plotted on the screen. Simulated structures range from a single atom to complex disordered or modulated structures. The simple interface

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Edwards, Tom, Nicolas Foloppe, Sarah Anne Harris, and Geoff Wells. "The future of biomolecular simulation in the pharmaceutical industry: what we can learn from aerodynamics modelling and weather prediction. Part 1. understanding the physical and computational complexity of in silico drug design." Acta Crystallographica Section D Structural Biology 77, no. 11 (2021): 1348–56. http://dx.doi.org/10.1107/s2059798321009712.

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The predictive power of simulation has become embedded in the infrastructure of modern economies. Computer-aided design is ubiquitous throughout industry. In aeronautical engineering, built infrastructure and materials manufacturing, simulations are routinely used to compute the performance of potential designs before construction. The ability to predict the behaviour of products is a driver of innovation by reducing the cost barrier to new designs, but also because radically novel ideas can be piloted with relatively little risk. Accurate weather forecasting is essential to guide domestic and

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Laghaei, Rozita, and Afshin Eskandari Nasrabad. "The Influence of Bond Angle on Thermophysical Properties of Three-Center Lennard-Jones Fluids: Computer Simulation and Theory." Zeitschrift für Physikalische Chemie 233, no. 4 (2019): 551–76. http://dx.doi.org/10.1515/zpch-2018-1199.

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Abstract We carry out extensive computer simulations to study the phase equilibrium, thermodynamics, and diffusion coefficient of three-center Lennard-Jones (3CLJ) fluids with an emphasis on the effects of bond angle on these properties. We take into account several bond angles ranging from θ0 = 60 to 180 degrees and two equilibrium bond elongations le = 1.0 and 0.5 (in Lennard-Jones length unit). Moreover, we study the fully flexible (FF) 3CLJ fluids for molecules with bond length 1.0. Gibbs ensemble Monte Carlo (MC) simulations are performed to compute the densities of the vapor-liquid coexi

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Qin, Peng. "Analysis of a Model for Computer Virus Transmission." Mathematical Problems in Engineering 2015 (2015): 1–10. http://dx.doi.org/10.1155/2015/720696.

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Computer viruses remain a significant threat to computer networks. In this paper, the incorporation of new computers to the network and the removing of old computers from the network are considered. Meanwhile, the computers are equipped with antivirus software on the computer network. The computer virus model is established. Through the analysis of the model, disease-free and endemic equilibrium points are calculated. The stability conditions of the equilibria are derived. To illustrate our theoretical analysis, some numerical simulations are also included. The results provide a theoretical ba

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