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Journal articles on the topic 'Computer simulation studies'

Author: Grafiati
Published: 6 September 2023

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1

Catlow, C. Richard A., M. Doherty, G. D. Price, M. J. Sanders, and S. C. Parker. "Computer Simulation Studies of Silicates." Materials Science Forum 7 (January 1986): 163–76. http://dx.doi.org/10.4028/www.scientific.net/msf.7.163.

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2

Klein, M. L. "Computer Simulation Studies of Solids." Annual Review of Physical Chemistry 36, no. 1 (1985): 525–48. http://dx.doi.org/10.1146/annurev.pc.36.100185.002521.

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3

Luckhurst, G. R., and S. Romano. "Computer simulation studies of anisotropic systems." Physical Chemistry Chemical Physics 5, no. 6 (2003): 1242–52. http://dx.doi.org/10.1039/b211762m.

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4

Emerson, A. P. J., R. Hashim, and G. R. Luckhurst. "Computer simulation studies of anisotropic systems." Molecular Physics 76, no. 2 (1992): 241–50. http://dx.doi.org/10.1080/00268979200101311.

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5

Luckhurst, G. R., and P. S. J. Simmonds. "Computer simulation studies of anisotropic systems." Molecular Physics 80, no. 2 (1993): 233–52. http://dx.doi.org/10.1080/00268979300102241.

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6

Emerson, A. P. J., G. R. Luckhurst, and S. G. Whatling. "Computer simulation studies of anisotropic systems." Molecular Physics 82, no. 1 (1994): 113–24. http://dx.doi.org/10.1080/00268979400100094.

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7

Hashim, R., G. R. Luckhurst, and S. Romano. "Computer simulation studies of anisotropic systems." Molecular Physics 56, no. 6 (1985): 1217–34. http://dx.doi.org/10.1080/00268978500103021.

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8

Luckhurst, G. R., T. J. Sluckin, and H. B. Zewdie. "Computer simulation studies of anisotropic systems." Molecular Physics 59, no. 4 (1986): 657–78. http://dx.doi.org/10.1080/00268978600102321.

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9

Adams, D. J., G. R. Luckhurst, and R. W. Phippen. "Computer simulation studies of anisotropic systems." Molecular Physics 61, no. 6 (1987): 1575–80. http://dx.doi.org/10.1080/00268978700102001.

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10

Abraham, D. B., J. Heinio, and K. Kaski. "Computer simulation studies of fluid spreading." Journal of Physics A: Mathematical and General 24, no. 6 (1991): L309—L315. http://dx.doi.org/10.1088/0305-4470/24/6/010.

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11

Bandyopadhyay, Sanjoy, Mounir Tarek, and Michael L. Klein. "Computer simulation studies of amphiphilic interfaces." Current Opinion in Colloid & Interface Science 3, no. 3 (1998): 242–46. http://dx.doi.org/10.1016/s1359-0294(98)80067-8.

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12

Sasajima, Y., and R. Yamamotothin. "Computer simulation studies of film formation." Welding International 6, no. 5 (1992): 356–61. http://dx.doi.org/10.1080/09507119209548202.

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13

Akhtar, M. Javed, Zeb-Un-Nisa Akhtar, Robert A. Jackson, and C. Richard A. Catlow. "Computer Simulation Studies of Strontium Titanate." Journal of the American Ceramic Society 78, no. 2 (1995): 421–28. http://dx.doi.org/10.1111/j.1151-2916.1995.tb08818.x.

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14

Liu, Y., and R. B. Pandey. "Computer-simulation studies of kinetic gelation." Physical Review B 55, no. 13 (1997): 8257–66. http://dx.doi.org/10.1103/physrevb.55.8257.

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15

Jackson, R. A., and C. R. A. Catlow. "Computer Simulation Studies of Zeolite Structure." Molecular Simulation 1, no. 4 (1988): 207–24. http://dx.doi.org/10.1080/08927028808080944.

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16

Kumar, P. Padma, and K. J. Rao. "Computer simulation studies of Ar clusters." Bulletin of Materials Science 22, no. 5 (1999): 843–50. http://dx.doi.org/10.1007/bf02745543.

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17

Landau, D. P. "Computer simulation studies of critical phenomena." Physica A: Statistical Mechanics and its Applications 205, no. 1-3 (1994): 41–64. http://dx.doi.org/10.1016/0378-4371(94)90490-1.

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18

Smirnov, Boris M. "Computer simulation studies in condensed matter physics." Uspekhi Fizicheskih Nauk 158, no. 7 (1989): 545. http://dx.doi.org/10.3367/ufnr.0158.198907k.0545.

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19

Zewdie, Habtamu. "Computer-simulation studies of diskotic liquid crystals." Physical Review E 57, no. 2 (1998): 1793–805. http://dx.doi.org/10.1103/physreve.57.1793.

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20

Donnerberg, H., S. M. Tomlinson, C. R. A. Catlow, and O. F. Schirmer. "Computer-simulation studies of extrinsic defects inLiNbO3crystals." Physical Review B 44, no. 10 (1991): 4877–83. http://dx.doi.org/10.1103/physrevb.44.4877.

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21

Catlow, C. R. A. "Computer Simulation Studies of Transport in Solids." Annual Review of Materials Science 16, no. 1 (1986): 517–48. http://dx.doi.org/10.1146/annurev.ms.16.080186.002505.

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22

Donnerberg, H., S. M. Tomlinson, C. R. A. Catlow, and O. F. Schirmer. "Computer-simulation studies of intrinsic defects inLiNbO3crystals." Physical Review B 40, no. 17 (1989): 11909–16. http://dx.doi.org/10.1103/physrevb.40.11909.

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23

Kelton, W. David. "Methodological Expectations for Studies Using Computer Simulation." Journal of Business Logistics 37, no. 2 (2016): 82–86. http://dx.doi.org/10.1111/jbl.12128.

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24

Smirnov, Boris M. "Computer simulation studies in condensed matter physics." Soviet Physics Uspekhi 32, no. 7 (1989): 647. http://dx.doi.org/10.1070/pu1989v032n07abeh002744.

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25

Nezbeda, Ivo, M. Rami Reddy, and William R. Smith. "Computer simulation studies of molecular fluid mixtures." Molecular Physics 55, no. 2 (1985): 447–62. http://dx.doi.org/10.1080/00268978500101471.

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26

Saiz, Leonor, and Michael L. Klein. "Computer Simulation Studies of Model Biological Membranes." Accounts of Chemical Research 35, no. 6 (2002): 482–89. http://dx.doi.org/10.1021/ar010167c.

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27

Khan, R. T. A., and M. J. Akhtar. "Atomistic computer simulation studies of La1−xSrxVO3." Solid State Communications 137, no. 3 (2006): 110–14. http://dx.doi.org/10.1016/j.ssc.2005.11.020.

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28

Landau, D. P. "Computer simulation studies of magnetic phase transitions." Journal of Magnetism and Magnetic Materials 200, no. 1-3 (1999): 231–47. http://dx.doi.org/10.1016/s0304-8853(99)00309-1.

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29

Shinoda, Wataru, Russell DeVane, and Michael L. Klein. "Computer simulation studies of self-assembling macromolecules." Current Opinion in Structural Biology 22, no. 2 (2012): 175–86. http://dx.doi.org/10.1016/j.sbi.2012.01.011.

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30

Bresme, Fernando, and Jordi Faraudo. "Computer Simulation Studies of Newton Black Films." Langmuir 20, no. 12 (2004): 5127–37. http://dx.doi.org/10.1021/la036026w.

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31

Summers, Richard L. "Computer Simulation Studies and the Scientific Method." Journal of Applied Animal Welfare Science 1, no. 2 (1998): 119–31. http://dx.doi.org/10.1207/s15327604jaws0102_3.

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32

Matthews, James F., Cathy E. Skopec, Philip E. Mason та ін. "Computer simulation studies of microcrystalline cellulose Iβ". Carbohydrate Research 341, № 1 (2006): 138–52. http://dx.doi.org/10.1016/j.carres.2005.09.028.

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33

Ravi, R., A. Sundara Raj, Thirumalai Parthiban, G. Radhakrishnan, and R. Kalidoss. "Computer simulation studies on electrodeposition of zinc." Materials Chemistry and Physics 34, no. 3-4 (1993): 290–94. http://dx.doi.org/10.1016/0254-0584(93)90049-r.

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34

Limoge, Y., A. Rahman, Horngming Hsieh, and Sidney Yip. "Computer simulation studies of radiation induced amorphization." Journal of Non-Crystalline Solids 99, no. 1 (1988): 75–88. http://dx.doi.org/10.1016/0022-3093(88)90459-0.

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35

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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Abstract:
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 simulation of a chaotic jerk circuit, using the software LTspice. We also employ the OSF platform to share the project associated with this paper. Tests performed with LTspice XVII on four different computers show the difficulties of simulation reproducibility by this software. We compare these results with experimental data using a normalised root mean square error in order to identify the computer with the highest prediction horizon. We also calculate the entropy of the signals to check differences among computer simulations and the practical experiment. The methodology developed is efficient in identifying the computer with better performance, which allows applying it to other cases in the literature. This investigation is fully described and available on the OSF platform.
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36

MATSUBARA, Hideaki. "Computer Simulation Studies on Sintering and Grain Growth." Journal of the Ceramic Society of Japan 113, no. 1316 (2005): 263–68. http://dx.doi.org/10.2109/jcersj.113.263.

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37

Beierbeck, Helmut, and Raymond U. Lemieux. "Computer simulation studies of the solvation of oligosaccharides." Canadian Journal of Chemistry 68, no. 6 (1990): 820–27. http://dx.doi.org/10.1139/v90-130.

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Computer simulations of the hydration of the tetrasaccharide αLFuc(1 → 2)βDGal(1 → 3) αLFuc(1 → 4) βDGlcNAc-OMe and one of its deoxy derivatives were carried out as a first step toward an understanding of the role of water in the recognition of oligosaccharides by proteins. The model consisted of one solute molecule in one of its low-energy conformations, surrounded by 250 water molecules. The solute–water and water–water interaction energies were evaluated with Clementi's potentials. Ensemble states for the derivation of average properties were generated by Monte Carlo methods. As expected, the strength of interaction between water and the amphiphilic solute was found to be considerably greater at hydrophilic than at hydrophobic sites. Furthermore, the average distance between the solvation shell and the solute surface was about 1 Å greater near hydrophobic than around hydrophilic groups. There is also a definitive alignment of the water dipole around the hydroxyl groups of the saccharide, which is not evident over the hydrophobic regions. Finally, in a parallel investigation the tetrasaccharides were solvated by adding water to the solute at sites of minimum energy of association, in order to explore less-CPU-time-consuming alternatives to Monte Carlo simulations. While the patterns of interaction energies, distances, and dipole orientations were found to be similar to Monte Carlo results, the time savings were not as significant as hoped. Keywords: Monte Carlo simulations, numerical solvation studies, solvation simulations of oligosaccharides, molecular recognition, carbohydrate solvation.
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38

Wall, Greg D., and Douglas J. Cleaver. "Computer simulation studies of confined liquid-crystal films." Physical Review E 56, no. 4 (1997): 4306–16. http://dx.doi.org/10.1103/physreve.56.4306.

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39

Shaheen, R., M. J. Akhtar, M. Nadeem, and M. N. Haque. "Atomistic computer simulation studies of Sr2RuO4 and Ca2RuO4." Journal of Physics and Chemistry of Solids 64, no. 2 (2003): 237–45. http://dx.doi.org/10.1016/s0022-3697(02)00283-4.

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40

Crawford, J. W., and T. J. Gallwey. "Bias and variance reduction in computer simulation studies." European Journal of Operational Research 124, no. 3 (2000): 571–90. http://dx.doi.org/10.1016/s0377-2217(99)00178-2.

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41

Bates, Martin A. "Computer simulation studies of nematic liquid crystal tactoids." Chemical Physics Letters 368, no. 1-2 (2003): 87–93. http://dx.doi.org/10.1016/s0009-2614(02)01824-9.

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42

Vagedes, Peter, Björn Rabenstein, Johan Åqvist, John Marelius, and Ernst-Walter Knapp. "The Deacylation Step of Acetylcholinesterase: Computer Simulation Studies." Journal of the American Chemical Society 122, no. 49 (2000): 12254–62. http://dx.doi.org/10.1021/ja0004581.

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43

Hackett, E., E. Manias, and E. P. Giannelis. "Computer Simulation Studies of PEO/Layer Silicate Nanocomposites." Chemistry of Materials 12, no. 8 (2000): 2161–67. http://dx.doi.org/10.1021/cm990676x.

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44

H.K.H. "Computer simulation studies in condensed matter physics III." Materials Research Bulletin 27, no. 11 (1992): 1364. http://dx.doi.org/10.1016/0025-5408(92)90103-7.

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45

Bresme, Fernando, and Luis G. Cámara. "Computer simulation studies of Crystallization under confinement conditions." Chemical Geology 230, no. 3-4 (2006): 197–206. http://dx.doi.org/10.1016/j.chemgeo.2006.02.025.

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46

Mason, Philip E., George W. Neilson, John E. Enderby, Marie-Louise Saboungi, and John W. Brady. "Neutron Diffraction and Computer Simulation Studies ofd-Xylose." Journal of the American Chemical Society 127, no. 31 (2005): 10991–98. http://dx.doi.org/10.1021/ja051376l.

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47

Robinson, Mark T. "Computer simulation studies of high-energy collision cascades." Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 67, no. 1-4 (1992): 396–400. http://dx.doi.org/10.1016/0168-583x(92)95839-j.

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48

Durai, L., R. Dhanasekaran, and P. Ramasamy. "Computer simulation studies on the kinetics of electrocrystallization." Journal of Crystal Growth 79, no. 1-3 (1986): 783–90. http://dx.doi.org/10.1016/0022-0248(86)90554-3.

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49

Gubbins, K. E. "Theory and computer simulation studies of liquid mixtures." Fluid Phase Equilibria 20 (January 1985): 1–25. http://dx.doi.org/10.1016/0378-3812(85)90018-4.

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50

Deshmukh, Ranjit R., and Milan Bier. "Counterflow in isotachophoresis: Computer simulation and experimental studies." Electrophoresis 14, no. 1 (1993): 205–13. http://dx.doi.org/10.1002/elps.1150140134.

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