Academic literature on the topic 'Computational calculation'
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Journal articles on the topic "Computational calculation"
Kelley, Jason, and Chad Higgins. "Computational efficiency for the surface renewal method." Atmospheric Measurement Techniques 11, no. 4 (April 16, 2018): 2151–58. http://dx.doi.org/10.5194/amt-11-2151-2018.
Full textLiu, Dingjin, Bo Li, and Guofeng Liu. "Calculation of Surface Offset Gathers Based on Reverse Time Migration and Its Parallel Computation with Multi-GPUs." Applied Sciences 11, no. 22 (November 12, 2021): 10687. http://dx.doi.org/10.3390/app112210687.
Full textPyatkin, P. A., and E. G. Skibin. "ACCOUNT THE INFLUENCE OF DEFORMATIONS FROM PART-TIME WORK OF THE TERRITORY ON THE STRESS-STRAIN STATE OF BUILDING STRUCTURES." Construction and Geotechnics 12, no. 3 (December 15, 2021): 53–62. http://dx.doi.org/10.15593/2224-9826/2021.3.06.
Full textMaahury, Mirella Fonda. "MOLECULAR STRUCTURE AND ELECTRONIC PROPERTIES OF EUGENOL AND ITS ANALOGUES USING DFT." JURNAL KIMIA MULAWARMAN 19, no. 2 (May 31, 2022): 58. http://dx.doi.org/10.30872/jkm.v19i2.1123.
Full textBraatz, R. P., P. M. Young, J. C. Doyle, and M. Morari. "Computational complexity of μ calculation." IEEE Transactions on Automatic Control 39, no. 5 (May 1994): 1000–1002. http://dx.doi.org/10.1109/9.284879.
Full textEbeling, John C., Ian C. Bacon, Trent P. Bates, Scott D. Sommerfeldt, and Jonathan D. Blotter. "Improved efficiency of vibration-based sound power computation through multi-layered radiation resistance matrix symmetry." Journal of the Acoustical Society of America 151, no. 4 (April 2022): A228. http://dx.doi.org/10.1121/10.0011146.
Full textKrejsa, Martin, and Juraj Kralik. "Probabilistic Computational Methods in Structural Failure Analysis." Journal of Multiscale Modelling 06, no. 03 (September 2015): 1550006. http://dx.doi.org/10.1142/s1756973715500067.
Full textQin, Xinming, Honghui Shang, Lei Xu, Wei Hu, Jinlong Yang, Shigang Li, and Yunquan Zhang. "The static parallel distribution algorithms for hybrid density-functional calculations in HONPAS package." International Journal of High Performance Computing Applications 34, no. 2 (May 9, 2019): 159–68. http://dx.doi.org/10.1177/1094342019845046.
Full textTokarev, Vyacheslav, and Nikolay Novitsky. "The method of adjustment of heat supply systems with the multistage temperature control at pumping stations." MATEC Web of Conferences 212 (2018): 02006. http://dx.doi.org/10.1051/matecconf/201821202006.
Full textPlatov, Alexander J., and Juri I. Platov. "Efficient computation of ship’s wave-making resistance using michell’s integral." Russian Journal of Water Transport, no. 73 (December 20, 2022): 206–15. http://dx.doi.org/10.37890/jwt.vi73.327.
Full textDissertations / Theses on the topic "Computational calculation"
Da, Ronch Andrea. "On the calculation of dynamic derivatives using computational fluid dynamics." Thesis, University of Liverpool, 2012. http://livrepository.liverpool.ac.uk/5513/.
Full textBrown, Kieron David. "Computational analysis of low speed axial flow rotors." Thesis, University of Bristol, 1998. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.389158.
Full textTang, Xiao. "Computational investigation of 2D functional materials for nanoelectronics." Thesis, Queensland University of Technology, 2020. https://eprints.qut.edu.au/206075/1/Xiao_Tang_Thesis.pdf.
Full textAlmlöf, Martin. "Computational Methods for Calculation of Ligand-Receptor Binding Affinities Involving Protein and Nucleic Acid Complexes." Doctoral thesis, Uppsala University, Department of Cell and Molecular Biology, 2007. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-7421.
Full textThe ability to accurately predict binding free energies from computer simulations is an invaluable resource in understanding biochemical processes and drug action. Several methods based on microscopic molecular dynamics simulations exist, and in this thesis the validation, application, and development of the linear interaction energy (LIE) method is presented.
For a test case of several hydrophobic ligands binding to P450cam it is found that the LIE parameters do not change when simulations are performed with three different force fields. The nonpolar contribution to binding of these ligands is best reproduced with a constant offset and a previously determined scaling of the van der Waals interactions.
A new methodology for prediction of binding free energies of protein-protein complexes is investigated and found to give excellent agreement with experimental results. In order to reproduce the nonpolar contribution to binding, a different scaling of the van der Waals interactions is neccesary (compared to small ligand binding) and found to be, in part, due to an electrostatic preorganization effect not present when binding small ligands.
A new treatment of the electrostatic contribution to binding is also proposed. In this new scheme, the chemical makeup of the ligand determines the scaling of the electrostatic ligand interaction energies. These scaling factors are calibrated using the electrostatic contribution to hydration free energies and proposed to be applicable to ligand binding.
The issue of codon-anticodon recognition on the ribosome is adressed using LIE. The calculated binding free energies are in excellent agreement with experimental results, and further predict that the Leu2 anticodon stem loop is about 10 times more stable than the Ser stem loop in complex with a ribosome loaded with the Phe UUU codon. The simulations also support the previously suggested roles of A1492, A1493, and G530 in the codon-anticodon recognition process.
Almlöf, Martin. "Computational methods for calculation of Ligand-Receptor binding affinities involving protein and nucleic acid complexes /." Uppsala : Acta Universitatis Upsaliensis, 2007. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-7421.
Full textFey, Natalie. "Molecular modelling of ferrocenes and arylphosphines." Thesis, Keele University, 2001. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.368982.
Full textFosso-Tande, Jacob. "A Computational Chemistry Study of Spin Traps." Digital Commons @ East Tennessee State University, 2007. https://dc.etsu.edu/etd/2127.
Full textTang, Cheng. "Computational exploration of two-dimensional materials with novel electronic, optical and magnetic properties." Thesis, Queensland University of Technology, 2021. https://eprints.qut.edu.au/212532/1/Cheng_Tang_Thesis.pdf.
Full textParasuram, Priya Laity John H. "Homologous modeling and structure calculation of the MTF-1 zinc finger domain protein using NMR and computational techniques." Diss., UMK access, 2006.
Find full text"A thesis in computer science." Typescript. Advisor: John H. Laity. Vita. Title from "catalog record" of the print edition Description based on contents viewed Nov. 1, 2007. Includes bibliographical references (leaves 81-88). Online version of the print edition.
Castro, Aguilera Abril Carolina. "Computational study of nuclear magnetic shielding constants." Doctoral thesis, Universitat de Girona, 2017. http://hdl.handle.net/10803/565597.
Full textL’espectroscòpia de Ressonància Magnètica Nuclear (RMN) és una eina indispensable en el modern arsenal de químics analítics i biòlegs estructurals.La present tesi és un estudi computacional dels desplaçaments químics de RMN en un nombre de compostos químics d’interès, usant aproximacions estàtiques i dinàmiques mitjançant la teoria del funcional de la densitat, la qual ajudarà a predir, a confirmar i/o a complementar dades obtingudes experimentalment. S’ha donat especial atenció en casos on existeixen fortes interaccions substrat-solvent. Addicionalment, aquesta tesi aborda altres problemes metodològics que afecten la qualitat dels desplaçaments químics teòrics com el nivell de teoria, la inclusió explícita de molècules de solvent, l’elecció de la molècula de referència, així com els efectes relativistes en compostos que contenen àtoms pesats
Books on the topic "Computational calculation"
Caughey, D. A. Multigrid calculation of three-dimensional turbomachinery flows. Ithaca, New York: Fluid Dynamics and Aerodynamics Program, Sibley School of Mechanical and Aerospace Engineering, Cornell University, 1989.
Find full textNonlinear computational structural mechanics: New approaches and non-incremental methods of calculation. New York: Springer, 1999.
Find full textSpline functions: Computational methods. Philadelphia: Society for Industrial and Applied Mathematics, 2015.
Find full textG, Habashi W., ed. Advances in computational transonics. Swansea, U.K: Pineridge Press, 1985.
Find full textComputational statistical mechanics. Amsterdam: Elsevier, 1991.
Find full textR, Liu G., Tan V. B. C, and Han X, eds. Computational methods. Dordrecht: Springer, 2006.
Find full textMavriplis, Dimitri J. Unstructured mesh algorithms for aerodynamic calculations. Hampton, Va: Institute for Computer Applications in Science and Engineering, 1992.
Find full textJoint, ASME/SES Applied Mechanics and Engineering Sciences Conference (1988 Berkeley Calif ). Computational probabilistic methods. New York, N.Y. (345 E. 47th St., New York 10017): American Society of Mechanical Engineers, 1988.
Find full textInstitute Of Electrical and Electronics Engineers. IEEE computational science & engineering. Los Alamitos, CA: IEEE Computer Society, 1994.
Find full textG, Cox M., Hammarling S. J, and Wilkinson J. H, eds. Reliable numerical computation. Oxford: Clarendon Press, 1990.
Find full textBook chapters on the topic "Computational calculation"
Onishi, Taku. "Atomic Orbital Calculation." In Quantum Computational Chemistry, 89–112. Singapore: Springer Singapore, 2017. http://dx.doi.org/10.1007/978-981-10-5933-9_7.
Full textRoh, Myung-Il, and Kyu-Yeul Lee. "Calculation of Freeboard." In Computational Ship Design, 105–33. Singapore: Springer Singapore, 2017. http://dx.doi.org/10.1007/978-981-10-4885-2_9.
Full textGlock, H. W., K. Rothemund, and U. van Rienen. "Coupled Calculation of Eigenmodes." In Computational Electromagnetics, 85–101. Berlin, Heidelberg: Springer Berlin Heidelberg, 2003. http://dx.doi.org/10.1007/978-3-642-55745-3_7.
Full textFernández, Francisco M., and Julián Echave. "Nonadiabatic Calculation of Dipole Moments." In Computational Spectroscopy, 173–99. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA, 2010. http://dx.doi.org/10.1002/9783527633272.ch6.
Full textHenderson, Thomas C. "Coordinate Frames and Gradient Calculation." In Computational Sensor Networks, 1–17. Boston, MA: Springer US, 2009. http://dx.doi.org/10.1007/978-0-387-09643-8_4.
Full textLent, Craig S. "Calculation of Transport Through Ballistic Quantum Structures." In Computational Electronics, 259–62. Boston, MA: Springer US, 1991. http://dx.doi.org/10.1007/978-1-4757-2124-9_53.
Full textZhang, K. X., and J. N. Zhang. "Numerov Calculation of AlxGa1-xN/GaN Heterostructure." In Computational Mechanics, 307. Berlin, Heidelberg: Springer Berlin Heidelberg, 2007. http://dx.doi.org/10.1007/978-3-540-75999-7_107.
Full textMafra, Luís, Sérgio Santos, Mariana Sardo, and Heather Frericks Schmidt. "Calculation of NMR Tensors." In Computational Pharmaceutical Solid State Chemistry, 287–329. Hoboken, NJ: John Wiley & Sons, Inc, 2016. http://dx.doi.org/10.1002/9781118700686.ch12.
Full textOnishi, Taku. "Molecular Orbital Calculation of Diatomic Molecule." In Quantum Computational Chemistry, 113–57. Singapore: Springer Singapore, 2017. http://dx.doi.org/10.1007/978-981-10-5933-9_8.
Full textMorokuma, K., U. Nagashima, S. Yamamoto, N. Koga, S. Obara, and S. Yabushita. "Chemical Calculation on Japanese Supercomputers." In Methods in Computational Chemistry, 147–65. Boston, MA: Springer US, 1990. http://dx.doi.org/10.1007/978-1-4615-7416-3_3.
Full textConference papers on the topic "Computational calculation"
Braatz, Richard D., Peter M. Young, John C. Doyle, and Manfred Morari. "Computational complexity of μ calculation." In 1993 American Control Conference. IEEE, 1993. http://dx.doi.org/10.23919/acc.1993.4793162.
Full textVeras, T. M. L. de, A. F. Ramos, R. J. G. B. de Queiroz, and A. G. de Oliveira. "Calculation of Fundamental Groups via Computational Paths." In Encontro de Teoria da Computação. Sociedade Brasileira de Computação - SBC, 2021. http://dx.doi.org/10.5753/etc.2021.16370.
Full textJankowski, Eric. "Computational challenges in nanoparticle partition function calculation." In the 1st Conference of the Extreme Science and Engineering Discovery Environment. New York, New York, USA: ACM Press, 2012. http://dx.doi.org/10.1145/2335755.2335822.
Full textKaneko, Toshiaki. "Numerical calculation of one-loop integration." In 3rd Computational Particle Physics Workshop. Trieste, Italy: Sissa Medialab, 2011. http://dx.doi.org/10.22323/1.131.0010.
Full textBühler, Simon, Douglas Wilcox, Joris P. Oosterhuis, and Theo H. Van der Meer. "Calculation of thermoacoustic functions with computational fluid dynamics." In ICA 2013 Montreal. ASA, 2013. http://dx.doi.org/10.1121/1.4799088.
Full textIsbasoiu, Eliza Consuela. "Services for Numerical Calculation." In 2009 International Conference on Computational Intelligence, Modelling and Simulation. IEEE, 2009. http://dx.doi.org/10.1109/cssim.2009.35.
Full textVierendeels, Jan, Kris Riemslagh, Erik Dick, Jan Vierendeels, Kris Riemslagh, and Erik Dick. "Flow calculation in complex shaped moving domains." In 13th Computational Fluid Dynamics Conference. Reston, Virigina: American Institute of Aeronautics and Astronautics, 1997. http://dx.doi.org/10.2514/6.1997-2044.
Full textShen, Ziang, Xinlei Chen, and Changqing Gu. "RCS Calculation of Dynamic Target." In 2018 International Applied Computational Electromagnetics Society Symposium - China (ACES). IEEE, 2018. http://dx.doi.org/10.23919/acess.2018.8669149.
Full textYoon, Seokkwan. "Calculation of Supersonic Combustion Using Implicit Schemes." In 16th AIAA Computational Fluid Dynamics Conference. Reston, Virigina: American Institute of Aeronautics and Astronautics, 2003. http://dx.doi.org/10.2514/6.2003-3546.
Full textWeiss, Jonathan. "Calculation of reacting flowfields involving stiff chemical kinetics." In 14th Computational Fluid Dynamics Conference. Reston, Virigina: American Institute of Aeronautics and Astronautics, 1999. http://dx.doi.org/10.2514/6.1999-3369.
Full textReports on the topic "Computational calculation"
Koski, J. A., S. D. Wix, and J. K. Cole. Calculation of shipboard fire conditions for radioactive materials packages with the methods of computational fluid dynamics. Office of Scientific and Technical Information (OSTI), September 1997. http://dx.doi.org/10.2172/537283.
Full textKhrushch, Nila, Pavlo Hryhoruk, Tetiana Hovorushchenko, Sergii Lysenko, Liudmyla Prystupa, and Liudmyla Vahanova. Assessment of bank's financial security levels based on a comprehensive index using information technology. [б. в.], October 2020. http://dx.doi.org/10.31812/123456789/4474.
Full textBrown, Forrest B. Advanced Computational Methods for Monte Carlo Calculations. Office of Scientific and Technical Information (OSTI), January 2018. http://dx.doi.org/10.2172/1417155.
Full textGoldstein, Justin, Charles Hammock, Ralph Liu, Jacob Janz, Clyburn Cunningham, and Mitchell Rimerman. Offloading Calculations to Computational Storage Devices: Spark and HDFS. Office of Scientific and Technical Information (OSTI), August 2021. http://dx.doi.org/10.2172/1813800.
Full textWissink, Andrew, Jude Dylan, Buvana Jayaraman, Beatrice Roget, Vinod Lakshminarayan, Jayanarayanan Sitaraman, Andrew Bauer, James Forsythe, Robert Trigg, and Nicholas Peters. New capabilities in CREATE™-AV Helios Version 11. Engineer Research and Development Center (U.S.), June 2021. http://dx.doi.org/10.21079/11681/40883.
Full textHaehnel, Robert, Scott Christensen, J. Whitlow, Andrew Bauer, Ari Meyer, Gautham Rangarajan, Yonghu Wenren, et al. A computational prototyping environment interface for DoD CREATE™-AV Helios simulations. Engineer Research and Development Center (U.S.), May 2021. http://dx.doi.org/10.21079/11681/40582.
Full textHinkins, R. L. Parallel computation of automatic differentiation applied to magnetic field calculations. Office of Scientific and Technical Information (OSTI), September 1994. http://dx.doi.org/10.2172/10107439.
Full textPulay, Peter. Computationally Efficient Models for the Calculation of Structures and Properties of Materials. Fort Belvoir, VA: Defense Technical Information Center, March 1998. http://dx.doi.org/10.21236/ada343620.
Full textMitchell, Scott A., Mohamed Salah Ebeida, Vicente J. Romero, Laura Painton Swiler, Ahmad A. Rushdi, and Ahmad Abdelkader. Efficient Probability of Failure Calculations for QMU using Computational Geometry LDRD 13-0144 Final Report. Office of Scientific and Technical Information (OSTI), September 2015. http://dx.doi.org/10.2172/1221522.
Full textRittmann, P. D. Emergency Doses (ED) - Revision 3: A calculator code for environmental dose computations. Office of Scientific and Technical Information (OSTI), December 1990. http://dx.doi.org/10.2172/6040411.
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