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Статті в журналах з теми "Chemical reaction"
DE LACY COSTELLO, B. P. J., I. JAHAN, A. ADAMATZKY, and N. M. RATCLIFFE. "CHEMICAL TESSELLATIONS." International Journal of Bifurcation and Chaos 19, no. 02 (February 2009): 619–22. http://dx.doi.org/10.1142/s0218127409023238.
Повний текст джерелаKikuchi, Shin, Hiroyuki Ohshima, and Kenro Hashimoto. "ICONE19-43782 Reaction Path Analysis of Sodium-Water Reaction Phenomena in support of Chemical Reaction Model Development." Proceedings of the International Conference on Nuclear Engineering (ICONE) 2011.19 (2011): _ICONE1943. http://dx.doi.org/10.1299/jsmeicone.2011.19._icone1943_304.
Повний текст джерелаBlurock, Edward S. "Reaction: System for Modeling Chemical Reactions." Journal of Chemical Information and Modeling 35, no. 3 (May 1, 1995): 607–16. http://dx.doi.org/10.1021/ci00025a032.
Повний текст джерелаMarris, Emma. "Chemical reaction." Nature 437, no. 7060 (October 2005): 807–9. http://dx.doi.org/10.1038/437807a.
Повний текст джерелаChallen, John. "Chemical Reaction." Electric and Hybrid Vehicle Technology International 2021, no. 3 (November 2021): 46–50. http://dx.doi.org/10.12968/s1467-5560(22)60257-4.
Повний текст джерелаSieniutycz, Stanisław. "A Fermat-like Principle for Chemical Reactions in Heterogeneous Systems." Open Systems & Information Dynamics 09, no. 03 (September 2002): 257–72. http://dx.doi.org/10.1023/a:1019708629128.
Повний текст джерелаSchwaller, Philippe, Benjamin Hoover, Jean-Louis Reymond, Hendrik Strobelt, and Teodoro Laino. "Extraction of organic chemistry grammar from unsupervised learning of chemical reactions." Science Advances 7, no. 15 (April 2021): eabe4166. http://dx.doi.org/10.1126/sciadv.abe4166.
Повний текст джерелаDunning, Thom H., Elfi Kraka, and Robert A. Eades. "Insights into the mechanisms of chemical reactions. Reaction paths for chemical reactions." Faraday Discussions of the Chemical Society 84 (1987): 427. http://dx.doi.org/10.1039/dc9878400427.
Повний текст джерелаWu, Jun-Lin, Zhi-Hui Li, Ao-Ping Peng, Xing-Cai Pi, and Xin-Yu Jiang. "Utility computable modeling of a Boltzmann model equation for bimolecular chemical reactions and numerical application." Physics of Fluids 34, no. 4 (April 2022): 046111. http://dx.doi.org/10.1063/5.0088440.
Повний текст джерелаLazaridis, Filippos, Aditya Savara, and Panos Argyrakis. "Reaction efficiency effects on binary chemical reactions." Journal of Chemical Physics 141, no. 10 (September 14, 2014): 104103. http://dx.doi.org/10.1063/1.4894791.
Повний текст джерелаДисертації з теми "Chemical reaction"
Steele, Aaron J. "Collective behavior in chemical systems." Morgantown, W. Va. : [West Virginia University Libraries], 2007. https://eidr.wvu.edu/etd/documentdata.eTD?documentid=5386.
Повний текст джерелаTitle from document title page. Document formatted into pages; contains vii, 126 p. : ill. (some col.) + video files. Includes supplementary video files in a zip file. Includes abstract. Includes bibliographical references.
Degrand, Elisabeth. "Evolving Chemical Reaction Networks." Thesis, KTH, Skolan för elektroteknik och datavetenskap (EECS), 2019. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-257491.
Повний текст джерелаEtt mål med syntetisk biologi är att genomföra användbara funktioner med biokemiska reaktioner, antingen genom omprogrammering av levande celler eller programmering av artificiella vesiklar. I detta perspektiv anser vi Chemical Reaction Networks (CRNs) som ett programmeringsspråk. Det senaste arbetet har visat att kontinuerliga CRNs med dynamik som beskrivs av vanliga differentialekvationer är Turingkompletta. Det betyder att en funktion över de realla talen som kan beräknas av en Turing-maskin i godtycklig precision, kan beräknas av en CRN över en ändlig uppsättning molekylära arter. Beviset använder en algoritm som, givet en beräkningsbar funktion som presenteras som lösningen av ett PIVP (Polynomial Initial Values Problem), genererar en ändlig CRN för att implementera den. I de genererade CRN:erna spelar molekylkoncentrationerna rollen som informationsbärare, på samma sätt som proteiner i celler. I detta examensarbete undersöker vi ett tillvägagångssätt baserat på en evolutionär algoritm för att bygga en kontinuerlig CRN som approximerar en verklig funktion med en ändlig uppsättning av värden för funktionen. Tanken är att använda parallell genetisk algoritm i två nivåer. En första algoritm används för att utveckla nätets struktur, medan den andra möjliggör att optimera parametrarna för CRN:erna vid varje steg. Vi jämför de CRN som genereras av vår metod på olika funktioner. De CRN som hittas av evolutionen ger ofta bra resultat med ganska oväntade lösningar.
Knight, Daniel William. "Reactor behavior and its relation to chemical reaction network structure." The Ohio State University, 2015. http://rave.ohiolink.edu/etdc/view?acc_num=osu1438274630.
Повний текст джерелаDu, Yimian. "Bifurcation analysis in chemical reaction network." Thesis, Imperial College London, 2008. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.511282.
Повний текст джерелаHayes, Michael Y. "Theoretical studies of chemical reaction dynamics." Connect to online resource, 2007. http://gateway.proquest.com/openurl?url_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:dissertation&res_dat=xri:pqdiss&rft_dat=xri:pqdiss:3273678.
Повний текст джерелаRitchie, Grant A. D. "Laser studies of chemical reaction dynamics." Thesis, University of Oxford, 1999. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.325785.
Повний текст джерелаEnglish, Philip J. "Automated discovery of chemical reaction networks." Thesis, University of Newcastle Upon Tyne, 2009. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.500929.
Повний текст джерелаDomijan, Mirela. "Mathematical aspects of chemical reaction networks." Thesis, University of Warwick, 2008. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.495019.
Повний текст джерелаXu, Jin, and 徐进. "A study of chemical reaction optimization." Thesis, The University of Hong Kong (Pokfulam, Hong Kong), 2012. http://hub.hku.hk/bib/B48199242.
Повний текст джерелаpublished_or_final_version
Electrical and Electronic Engineering
Doctoral
Doctor of Philosophy
Galagali, Nikhil. "Bayesian inference of chemical reaction networks." Thesis, Massachusetts Institute of Technology, 2016. http://hdl.handle.net/1721.1/104253.
Повний текст джерелаCataloged from PDF version of thesis.
Includes bibliographical references (pages 189-198).
The development of chemical reaction models aids system design and optimization, along with fundamental understanding, in areas including combustion, catalysis, electrochemistry, and biology. A systematic approach to building reaction network models uses available data not only to estimate unknown parameters, but to also learn the model structure. Bayesian inference provides a natural approach for this data-driven construction of models. Traditional Bayesian model inference methodology is based on evaluating a multidimensional integral for each model. This approach is often infeasible for reaction network inference, as the number of plausible models can be very large. An alternative approach based on model-space sampling can enable large-scale network inference, but its efficient implementation presents many challenges. In this thesis, we present new computational methods that make large-scale nonlinear network inference tractable. Firstly, we exploit the network-based interactions of species to design improved "between-model" proposals for Markov chain Monte Carlo (MCMC). We then introduce a sensitivity-based determination of move types which, when combined with the network-aware proposals, yields further sampling efficiency. These algorithms are tested on example problems with up to 1000 plausible models. We find that our new algorithms yield significant gains in sampling performance, with almost two orders of magnitude reduction in the variance of posterior estimates. We also show that by casting network inference as a fixed-dimensional problem with point-mass priors, we can adapt existing adaptive MCMC methods for network inference. We apply this novel framework to the inference of reaction models for catalytic reforming of methane from a set of ~/~ 32000 possible models and real experimental data. We find that the use of adaptive MCMC makes large-scale inference of reaction networks feasible without the often extensive manual tuning that is required with conventional approaches. Finally, we present an approximation-based method that allows sampling over very large model spaces whose exploration remains prohibitively expensive with ex-act sampling methods. We run an MCMC algorithm over model indicators and for each visited model approximate the model evidence via Laplace's method. Limited and sparse available data tend to produce multi-modal posteriors over the model indicators. To perform inference in this setting, we develop a population-based approximate model inference MCMC algorithm. Numerical tests on problems with around 109 models demonstrate the superiority of our population-based algorithm over single-chain MCMC approaches.
by Nikhil Galagali.
Ph. D.
Книги з теми "Chemical reaction"
A, Mashelkar R., Kumar R, and Indian Academy of Sciences, eds. Reactions and reaction engineering. Bangalore: Indian Academy of Sciences, 1987.
Знайти повний текст джерелаBaxter, Roberta. Chemical reaction. Detroit, MI: Kidhaven Press, 2005.
Знайти повний текст джерелаCaroline, Anderson. Chemical Reaction. Toronto: Harlequin, 2003.
Знайти повний текст джерела1931-, Tominaga Hiroo, and Tamaki Masakazu, eds. Chemical reaction and reactor design. Chichester, England: J. Wiley, 1997.
Знайти повний текст джерелаJyri-Pekka, Mikkola, and Warna P, eds. Chemical reaction engineering and reactor technology. Boca Raton: Taylor & Francis, 2009.
Знайти повний текст джерелаTapio, Salmi, Mikkola Jyri-Pekka, and Wärnå Johan. Chemical Reaction Engineering and Reactor Technology. Boca Raton, FL : CRC Press, Taylor & Francis Group, 2019.: Chapman and Hall/CRC, 2019. http://dx.doi.org/10.1201/9781315200118.
Повний текст джерелаReaction kinetics and reactor design. 2nd ed. New York: M. Dekker, 2000.
Знайти повний текст джерелаChemical reaction technology. Berlin: De Gruyter, 2015.
Знайти повний текст джерелаAncheyta, Jorge. Chemical Reaction Kinetics. Chichester, UK: John Wiley & Sons, Ltd, 2017. http://dx.doi.org/10.1002/9781119226666.
Повний текст джерелаChemical reaction engineering. 3rd ed. New Delhi: Wiley India, 2007.
Знайти повний текст джерелаЧастини книг з теми "Chemical reaction"
Liu, Zhen. "Chemico: Chemical Reaction." In Multiphysics in Porous Materials, 173–80. Cham: Springer International Publishing, 2018. http://dx.doi.org/10.1007/978-3-319-93028-2_16.
Повний текст джерелаNilsson, Lars-Olof, Miguel-Ángel Climent, and Oliver Weichold. "Chemical Reaction." In Methods of Measuring Moisture in Building Materials and Structures, 43–47. Cham: Springer International Publishing, 2018. http://dx.doi.org/10.1007/978-3-319-74231-1_6.
Повний текст джерелаDiersch, Hans-Jörg G. "Chemical Reaction." In FEFLOW, 167–91. Berlin, Heidelberg: Springer Berlin Heidelberg, 2013. http://dx.doi.org/10.1007/978-3-642-38739-5_5.
Повний текст джерелаTapio, Salmi, Mikkola Jyri-Pekka, and Wärnå Johan. "Chemical Reaction Engineering." In Chemical Reaction Engineering and Reactor Technology, 402–10. Boca Raton, FL : CRC Press, Taylor & Francis Group, 2019.: Chapman and Hall/CRC, 2019. http://dx.doi.org/10.1201/9781315200118-11.
Повний текст джерелаHerges, Rainer. "Reaction Planning (Computer Aided Reaction Design)." In Chemical Structures, 385–98. Berlin, Heidelberg: Springer Berlin Heidelberg, 1988. http://dx.doi.org/10.1007/978-3-642-73975-0_40.
Повний текст джерелаHimadri, Roy Giratali. "Chemical Kinetics." In Reaction Engineering Principles, 25–94. Boca Raton : Taylor & Francis, 2016. | “A CRC title.”: CRC Press, 2018. http://dx.doi.org/10.1201/9781315367781-3.
Повний текст джерелаSchmal, Martin, and José Carlos Pinto. "Chemical equilibrium." In Chemical Reaction Engineering, 27–36. 2nd ed. London: CRC Press, 2021. http://dx.doi.org/10.1201/9781003046608-2.
Повний текст джерелаRamaswamy, Ramakrishna. "Chaos in Chemical Dynamics." In Reaction Dynamics, 101–20. Berlin, Heidelberg: Springer Berlin Heidelberg, 1991. http://dx.doi.org/10.1007/978-3-662-09683-3_4.
Повний текст джерелаWincek, John C. "Chemical Reaction Safety." In Handbook of Loss Prevention Engineering, 637–79. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA, 2013. http://dx.doi.org/10.1002/9783527650644.ch24.
Повний текст джерелаCarreón-Calderón, Bernardo, Verónica Uribe-Vargas, and Juan Pablo Aguayo. "Chemical Reaction Equilibrium." In Thermophysical Properties of Heavy Petroleum Fluids, 273–306. Cham: Springer International Publishing, 2020. http://dx.doi.org/10.1007/978-3-030-58831-1_7.
Повний текст джерелаТези доповідей конференцій з теми "Chemical reaction"
Kao, W., J. P. Singh, F. Y. Yueh та R. L. Cook. "Study of the High Temperature Multiplex HCℓ CARS Spectrum". У Laser Applications to Chemical Analysis. Washington, D.C.: Optica Publishing Group, 1992. http://dx.doi.org/10.1364/laca.1992.wc5.
Повний текст джерелаCho, Yong Ju, Naren Ramakrishnan, and Yang Cao. "Reconstructing chemical reaction networks." In the 14th ACM SIGKDD international conference. New York, New York, USA: ACM Press, 2008. http://dx.doi.org/10.1145/1401890.1401912.
Повний текст джерелаCardelli, Luca, Mirco Tribastone, Max Tschaikowski, and Andrea Vandin. "Comparing Chemical Reaction Networks." In LICS '16: 31st Annual ACM/IEEE Symposium on Logic in Computer Science. New York, NY, USA: ACM, 2016. http://dx.doi.org/10.1145/2933575.2935318.
Повний текст джерелаZhong, Ming, Siru Ouyang, Minhao Jiang, Vivian Hu, Yizhu Jiao, Xuan Wang, and Jiawei Han. "ReactIE: Enhancing Chemical Reaction Extraction with Weak Supervision." In Findings of the Association for Computational Linguistics: ACL 2023. Stroudsburg, PA, USA: Association for Computational Linguistics, 2023. http://dx.doi.org/10.18653/v1/2023.findings-acl.767.
Повний текст джерелаCasey, Abigail, and Gregory E. Triplett. "Microfluidic reaction design for real time chemical reactions monitoring." In Frontiers in Biological Detection: From Nanosensors to Systems XIII, edited by Benjamin L. Miller, Sharon M. Weiss, and Amos Danielli. SPIE, 2021. http://dx.doi.org/10.1117/12.2575995.
Повний текст джерелаKumar, Ashutosh, and Robin Marlar Rajendran. "Expediting Chemical Enhanced Oil Recovery Processes with Prediction of Chemical Reaction Yield Using Machine Learning." In ADIPEC. SPE, 2022. http://dx.doi.org/10.2118/211832-ms.
Повний текст джерелаSierra Murillo, Jose Daniel. "Chemical laser based on polyatomic chemical reaction dynamics." In XXIII International Symposium on High Power Laser Systems and Applications, edited by Tomáš Mocek. SPIE, 2022. http://dx.doi.org/10.1117/12.2653041.
Повний текст джерелаDoty, David. "Timing in chemical reaction networks." In Proceedings of the Twenty-Fifth Annual ACM-SIAM Symposium on Discrete Algorithms. Philadelphia, PA: Society for Industrial and Applied Mathematics, 2013. http://dx.doi.org/10.1137/1.9781611973402.57.
Повний текст джерелаKama Huang, Tao Hong, Xingpeng Liu, and Huacheng Zhu. "Microwave propagation in chemical reaction." In 2016 IEEE International Conference on Microwave and Millimeter Wave Technology (ICMMT). IEEE, 2016. http://dx.doi.org/10.1109/icmmt.2016.7761757.
Повний текст джерелаChaves, M., and E. D. Sontag. "Observers for chemical reaction networks." In 2001 European Control Conference (ECC). IEEE, 2001. http://dx.doi.org/10.23919/ecc.2001.7076512.
Повний текст джерелаЗвіти організацій з теми "Chemical reaction"
Aris, R., and R. W. Carr. Continuous chemical reaction chromatography. Office of Scientific and Technical Information (OSTI), January 1992. http://dx.doi.org/10.2172/7070042.
Повний текст джерелаPowers, T. B. Chemical reaction in a DCRT. Office of Scientific and Technical Information (OSTI), September 1996. http://dx.doi.org/10.2172/663145.
Повний текст джерелаEvelyn M. Goldfield. Chemical Reaction Dynamics in Nanoscle Environments. Office of Scientific and Technical Information (OSTI), September 2006. http://dx.doi.org/10.2172/891931.
Повний текст джерелаCarr, R. W. Continuous chemical reaction chromatography. Final report. Office of Scientific and Technical Information (OSTI), August 1997. http://dx.doi.org/10.2172/510307.
Повний текст джерелаKeshavamurthy, Srihari. Semiclassical methods in chemical reaction dynamics. Office of Scientific and Technical Information (OSTI), December 1994. http://dx.doi.org/10.2172/91884.
Повний текст джерелаLager, Daniel, Lia Kouchachvili, and Xavier Daguenet. TCM measuring procedures and testing under application conditions. IEA SHC Task 58, May 2021. http://dx.doi.org/10.18777/ieashc-task58-2021-0004.
Повний текст джерелаNelson Butuk. Mathematically Reduced Chemical Reaction Mechanism Using Neural Networks. Office of Scientific and Technical Information (OSTI), September 2006. http://dx.doi.org/10.2172/902508.
Повний текст джерелаNelson Butuk. Mathematically Reduced Chemical Reaction Mechanism Using Neural Networks. Office of Scientific and Technical Information (OSTI), December 2004. http://dx.doi.org/10.2172/881862.
Повний текст джерелаFlynn, G. Laser enhanced chemical reaction studies. Technical progress report. Office of Scientific and Technical Information (OSTI), December 1993. http://dx.doi.org/10.2172/10159752.
Повний текст джерелаZiaul Huque. Mathematically Reduced Chemical Reaction Mechanism Using Neural Networks. Office of Scientific and Technical Information (OSTI), August 2007. http://dx.doi.org/10.2172/947008.
Повний текст джерела