0103297 - UIVT-O 20040038 RIV DE eng J - Journal Article
Rodemerck, U. - Baerns, M. - Holeňa, Martin - Wolf, D.
Application of a Genetic Algorithm and a Neural Network for the Discovery and Optimization of New Solid Catalytic Materials.
[Aplikace genetického algoritmu a neuronové sítě pro objevování a optimalizaci nových pevných katalytických materiálů.]
Applied Surface Science. Roč. 223, - (2004), s. 168-174. ISSN 0169-4332. E-ISSN 1873-5584
Institutional research plan: CEZ:AV0Z1030915
Keywords : genetic algorithm * neural network * catalytic materials
Subject RIV: BA - General Mathematics
Impact factor: 1.497, year: 2004
DOI: https://doi.org/10.1016/S0169-4332(03)00919-X

Cited: 70

--- FRENZER, G. - MAIER, W.F. Amorphous porous mixed oxides: Sol-gel ways to a highly versatile class of materials and catalysts. ANNUAL REVIEW OF MATERIALS RESEARCH. ISSN 1531-7331, 2006, vol. 36, p. 281-331. [WOS]
--- PENNO, M. - ZAPF, A. - ROSENTHAL, U. New centre for Applied Catalysis Research: Institutes from Berlin and Rostock merge with the Leibniz Institute for Catalysis e.V. at Rostock University. CHEMIE INGENIEUR TECHNIK. ISSN 0009-286X, JUL 2006, vol. 78, no. 7, p. 817-824. [WOS]
--- SOHN, K.S. - YOO, J.G. - SHIN, N. - TODA, K. - ZANG, D.S. Combinatorial screening and QSAR modeling in the SrO-B2O3-P2O5 ternary system to search for thermally stable blue phosphors for PDPs. JOURNAL OF THE ELECTROCHEMICAL SOCIETY. ISSN 0013-4651, 2005, vol. 152, no. 12, p. H213-H218. [WOS]
--- CLERC, F. - LENGLIZ, M. - FARRUSSENG, D. - MIRODATOS, C. - PEREIRA, S.R.M. - RAKOTOMALALA, R. Library design using genetic algorithms for catalyst discovery and optimization. REVIEW OF SCIENTIFIC INSTRUMENTS. ISSN 0034-6748, JUN 2005, vol. 76, no. 6. [WOS]
--- AKCAYOL, M.A. - CINAR, C. Artificial neural network based modeling of heated catalytic converter performance. APPLIED THERMAL ENGINEERING. ISSN 1359-4311, OCT 2005, vol. 25, no. 14-15, p. 2341-2350. [WOS]
--- FARRUSSENG, D. - KLANNER, C. - BAUMES, L. - LENGLIZ, M. - MIRODATOS, C. - SCHUTH, F. Design of discovery libraries for solids based on QSAR models. QSAR & COMBINATORIAL SCIENCE. ISSN 1611-020X, FEB 2005, vol. 24, no. 1, p. 78-93. [WOS]
--- HENDERSHOT, R.J. - SNIVELY, C.M. - LAUTERBACH, J. High-throughput catalytic science. CHEMISTRY-A EUROPEAN JOURNAL. ISSN 0947-6539, JAN 21 2005, vol. 11, no. 3, p. 806-814. [WOS]
--- CAVANI, F. - BALLARINI, N. - CERICOLA, A. Oxidative dehydrogenation of ethane and propane: How far from commercial implementation?. CATALYSIS TODAY. ISSN 0920-5861, SEP 30 2007, vol. 127, no. 1-4, p. 113-131. [WOS]
--- MAIER, W.F. - STOWE, K. - SIEG, S. Combinatorial and high-throughput materials science. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION. ISSN 1433-7851, 2007, vol. 46, no. 32, p. 6016-6067. [WOS]
--- PEREIRA, S.R.M. - CLERC, F. - FARRUSSENG, D. - VAN der WAAL, J.C. - MASCHMEYER, T. Optimisation methodologies and algorithms for research on catalysis employing high-throughput methods: Comparison using the selox benchmark. COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING. ISSN 1386-2073, FEB 2007, vol. 10, no. 2, p. 149-159. [WOS]
--- BREUER, C. - LUCAS, M. - SCHUTZE, F.W. - CLAUS, P. Implementation of the multi-channel monolith reactor in an optimisation procedure for heterogeneous oxidation catalysts based on genetic algorithms. COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING. ISSN 1386-2073, JAN 2007, vol. 10, no. 1, p. 59-70. [WOS]
--- SERRA, J.M. - CORMA, A. - VALERO, S. - ARGENTE, E. - BOTTI, V. Soft computing techniques applied to combinatorial catalysis: A new approach for the discovery and optimization of catalytic materials. QSAR & COMBINATORIAL SCIENCE. ISSN 1611-020X, JAN 2007, vol. 26, no. 1, p. 11-26. [WOS]
--- KLANNER, C. - FARRUSSENG, D. - BAUMES, L. - LENGLIZ, M. - MIRODATOS, C. - SCHUTH, F. The development of descriptors for solids: Teaching "catalytic intuition" to a computer. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION. ISSN 1433-7851, 2004, vol. 43, no. 40, p. 5347-5349. [WOS]
--- GOBIN, O.C. - SCHUTH, F. On the Suitability of Different Representations of Solid Catalysts for Combinatorial Library Design by Genetic Algorithms. JOURNAL OF COMBINATORIAL CHEMISTRY. ISSN 1520-4766, NOV-DEC 2008, vol. 10, no. 6, p. 835-846. [WOS]
--- RAJAN, K. Combinatorial materials sciences: Experimental strategies for accelerated knowledge discovery. ANNUAL REVIEW OF MATERIALS RESEARCH. ISSN 1531-7331, 2008, vol. 38, p. 299-322. [WOS]
--- GUENAY, M.E. - YILDIRIM, R. Neural network aided design of Pt-Co-Ce/Al2O3 catalyst for selective CO oxidation in hydrogen-rich streams. CHEMICAL ENGINEERING JOURNAL. ISSN 1385-8947, JUL 1 2008, vol. 140, no. 1-3, p. 324-331. [WOS]
--- CHEN, L. - CHEN, S.F. - CHENG, J.G. Application of combinatorial chemistry approach in screening for phosphors under vacuum ultraviolet excitation. ACTA PHYSICO-CHIMICA SINICA. ISSN 1000-6818, MAY 2008, vol. 24, no. 5, p. 921-926. [WOS]
--- KUTSHRESHTHA, C. - SHARMA, A.K. - SOHN, K.S. Search for new red phosphors using genetic algorithm-assisted combinatorial chemistry. JOURNAL OF COMBINATORIAL CHEMISTRY. ISSN 1520-4766, MAY-JUN 2008, vol. 10, no. 3, p. 421-425. [WOS]
--- KARBOWSKI, A. - FISZ, J.J. - KARWASZ, G.P. - KANSY, J. - BRUSA, R.S. Genetic algorithms for positron lifetime data. ACTA PHYSICA POLONICA A. ISSN 0587-4246, MAY 2008, vol. 113, no. 5, p. 1365-1372. [WOS]
--- SCOTT, D.J. - MANOS, S. - COVENEY, P.V. Design of electroceramic materials using artificial neural networks and multiobjective evolutionary algorithms. JOURNAL OF CHEMICAL INFORMATION AND MODELING. ISSN 1549-9596, FEB 2008, vol. 48, no. 2, p. 262-273. [WOS]
--- SCOTT, D.J. - MANOS, S. - COVENEY, P.V. - ROSSINY, J.C.H. - FEARN, S. - KILNER, J.A. - PULLAR, R.C. - ALFORD, N.M.N. - AXELSSON, A.K. - ZHANG, Y. - CHEN, L. - YANG, S. - EVANS, J.R.G. - SEBASTIAN, M.T. Functional ceramic materials database: An online resource for materials research. JOURNAL OF CHEMICAL INFORMATION AND MODELING. ISSN 1549-9596, FEB 2008, vol. 48, no. 2, p. 449-455. [WOS]
--- FARRUSSENG, D. - CLERC, F. Diversity management for efficient combinatorial optimization of materials. APPLIED SURFACE SCIENCE. ISSN 0169-4332, NOV 30 2007, vol. 254, no. 3, p. 772-776. [WOS]
--- OMATA, K. - KOBAYASHI, Y. - YAMADA, M. Artificial Neural Network Aided Screening and Optimization of Additives to Co/SrCO3 Catalyst for Dry Reforming of Methane under Pressure. ENERGY & FUELS. ISSN 0887-0624, MAR-APR 2009, vol. 23, Sp. Iss. SI, p. 1931-1935. [WOS]
--- PASZKOWICZ, W. Genetic Algorithms, a Nature-Inspired Tool: Survey of Applications in Materials Science and Related Fields. MATERIALS AND MANUFACTURING PROCESSES. ISSN 1042-6914, 2009, vol. 24, no. 2, p. 174-197. [WOS]
--- SHARMA, A.K. - KULSHRESHTHA, C. - SOHN, K. - SOHN, K.S. Systematic Control of Experimental Inconsistency in Combinatorial Materials Science. JOURNAL OF COMBINATORIAL CHEMISTRY. ISSN 1520-4766, JAN-FEB 2009, vol. 11, no. 1, p. 131-137. [WOS]
--- VALERO, S. - ARGENTE, E. - BOTTI, V. - SERRA, J.M. - SERNA, P. - MOLINER, M. - CORMA, A. DoE framework for catalyst development based on soft computing techniques. COMPUTERS & CHEMICAL ENGINEERING. ISSN 0098-1354, JAN 13 2009, vol. 33, no. 1, p. 225-238. [WOS]
--- FARRUSSENG, D. High-throughput heterogeneous catalysis. SURFACE SCIENCE REPORTS. ISSN 0167-5729, NOV 30 2008, vol. 63, no. 11, p. 487-513. [WOS]
--- MARGITFALVI, J.L. - TOMPOS, A. - GOBOLOS, S. - TALAS, E. - HEGEDUS, M. Catalyst library design for fine chemistry applications. Catalysis of Organic Reactions. 2007, vol. 115, p. 303-314. [WOS]
--- PEREIRA, S.R.M. - CLERC, F. - FARRUSSENG, D. - VAN DER WAAL, J.C. - MASCHMEYER, T. - MIRODATOS, C. Effect of the Genetic Algorithm parameters on the optimisation of heterogeneous catalysts. QSAR & COMBINATORIAL SCIENCE. ISSN 1611-020X, FEB 2005, vol. 24, no. 1, p. 45-57. [WOS]
--- KANG, S. - CLERC, F. - FARRUSSENG, D. - MIRODATOS, C. - WOO, S.I. - PARK, S. Application of Evolutionary Strategies in the Experimental Optimization of Catalytic Materials. TOPICS IN CATALYSIS. ISSN 1022-5528, FEB 2010, vol. 53, no. 1-2, p. 2-12. [WOS]
--- BELTRAN-OVIEDO, T.A. - BATYRSHIN, I. - DOMINGUEZ, J.M. The optimal design of experiments (ODOE) as an alternative method for catalysts libraries optimization. CATALYSIS TODAY. ISSN 0920-5861, OCT 30 2009, vol. 148, no. 1-2, Sp. Iss. SI, p. 28-35. [WOS]
--- CLEGG, J. - DAWSON, J.F. - PORTER, S.J. - BARLEY, M.H. A Genetic Algorithm for Solving Combinatorial Problems and the Effects of Experimental Error - Applied to Optimizing Catalytic Materials. QSAR & COMBINATORIAL SCIENCE. ISSN 1611-020X, SEP 2009, vol. 28, no. 9, p. 1010-1020. [WOS]
--- LLAMAS-GALILEA, J. - GOBIN, O.C. - SCHUTH, F. Comparison of Single- And Multiobjective Design of Experiment in Combinatorial Chemistry for the Selective Dehydrogenation of Propane. JOURNAL OF COMBINATORIAL CHEMISTRY. ISSN 1520-4766, SEP-OCT 2009, vol. 11, no. 5, p. 907-913. [WOS]
--- HORIKAWA, Y. - KITAJIMA, H. Bifurcation and stabilization of oscillations in ring neural networks with inertia. PHYSICA D-NONLINEAR PHENOMENA. ISSN 0167-2789, DEC 2009, vol. 238, no. 23-24, p. 2409-2418. [WOS]
--- HORIKAWA, Y. - KITAJIMA, H. Effects of noise and variations on the duration of transient oscillations in unidirectionally coupled bistable ring networks. PHYSICAL REVIEW E. ISSN 1539-3755, AUG 2009, vol. 80, no. 2, Part 1. [WOS]
--- HORIKAWA, Y. - KITAJIMA, H. Duration of transient oscillations in ring networks of unidirectionally coupled neurons. PHYSICA D-NONLINEAR PHENOMENA. ISSN 0167-2789, JAN 15 2009, vol. 238, no. 2, p. 216-225. [WOS]
--- HORIKAWA, Y. Duration of transient fronts in a bistable reaction-diffusion equation in a one-dimensional bounded domain. PHYSICAL REVIEW E. ISSN 1539-3755, DEC 2008, vol. 78, no. 6, Part 2. [WOS]
--- CHEN, L. - CHEN, K.J. - LIN, C.C. - CHU, C.I. - HU, S.F. - LEE, M.H. - LIU, R.S. Combinatorial Approach to the Development of a Single Mass YVO4:Bi3+,Eu3+ Phosphor with Red and Green Dual Colors for High Color Rendering White Light-Emitting Diodes. JOURNAL OF COMBINATORIAL CHEMISTRY. ISSN 1520-4766, JUL-AUG 2010, vol. 12, no. 4, p. 587-594. [WOS]
--- DAVRAN-CANDAN, T. - GUNAY, M.E. - YILDIRIM, R. Structure and activity relationship for CO and O-2 adsorption over gold nanoparticles using density functional theory and artificial neural networks. JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, MAY 7 2010, vol. 132, no. 17. [WOS]
--- GUNAY, M.E. - YILDIRIM, R. Analysis of selective CO oxidation over promoted Pt/Al2O3 catalysts using modular neural networks: Combining preparation and operational variables. APPLIED CATALYSIS A-GENERAL. ISSN 0926-860X, APR 1 2010, vol. 377, no. 1-2, p. 174-180. [WOS]
--- KREUTZ, J.E. - SHUKHAEV, A. - DU, W.B. - DRUSKIN, S. - DAUGULIS, O. - ISMAGILOV, R.F. Evolution of Catalysts Directed by Genetic Algorithms in a Plug-Based Microfluidic Device Tested with Oxidation of Methane by Oxygen. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. ISSN 0002-7863, MAR 10 2010, vol. 132, no. 9, p. 3128-3132. [WOS]
--- xxxxxxxxxx
--- BAE, E.G. - KIM, H. - HWANG, Y.H. - SOHN, K.S. - PYO, M. Genetic Algorithm-assisted optimization of partially dyed-TiO2 for room-temperature printable photoanodes of dye-sensitized solar cells. JOURNAL OF MATERIALS CHEMISTRY. ISSN 0959-9428, JAN 14 2012, vol. 22, no. 2, p. 551-556. [WOS]
--- ZHANG, J.C. - FANG, M. - JIN, Y.X. - HE, H.B. Design of wideband graded-index antireflection coatings at oblique light incidence. CHINESE PHYSICS B. ISSN 1674-1056, JAN 2012, vol. 21, no. 1. [WOS]
--- GUNAY, M.E. - YILDIRIM, R. Neural network Analysis of Selective CO Oxidation over Copper-Based Catalysts for Knowledge Extraction from Published Data in the Literature. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH. ISSN 0888-5885, NOV 16 2011, vol. 50, no. 22, p. 12488-12500. [WOS]
--- POTYRAILO, R. - RAJAN, K. - STOEWE, K. - TAKEUCHI, I. - CHISHOLM, B. - LAM, H. Combinatorial and High-Throughput Screening of Materials Libraries: Review of State of the Art. ACS COMBINATORIAL SCIENCE. ISSN 2156-8952, NOV-DEC 2011, vol. 13, no. 6, p. 579-633. [WOS]
--- CHEN, L. - CHU, C.I. - CHEN, K.J. - CHEN, P.Y. - HU, S.F. - LIU, R.S. An intelligent approach to the discovery of luminescent materials using a combinatorial approach combined with Taguchi methodology. LUMINESCENCE. ISSN 1522-7235, JUL-AUG 2011, vol. 26, no. 4, p. 229-238. [WOS]
--- LIN, C.C. - LIU, R.S. Advances in Phosphors for Light-emitting Diodes. JOURNAL OF PHYSICAL CHEMISTRY LETTERS. ISSN 1948-7185, JUN 2 2011, vol. 2, no. 11, p. 1268-1277. [WOS]
--- KIM, S. - SOHN, K.S. - PYO, M. Genetic Algorithm-Assisted Optimization of Nanoporous TiO2 for Low-Temperature Processable Photoanodes of Dye-Sensitized Solar Cells. ACS COMBINATORIAL SCIENCE. ISSN 2156-8952, MAR-APR 2011, vol. 13, no. 2, p. 101-106. [WOS]
--- LEE, B. - LEE, S. - JEONG, H.G. - SOHN, K.S. Solid-State Combinatorial Screening of (Sr,Ca,Ba,Mg)(2)Si5N8:Eu2+ Phosphors. ACS COMBINATORIAL SCIENCE. ISSN 2156-8952, MAR-APR 2011, vol. 13, no. 2, p. 154-158. [WOS]
--- CAWSE, J.N. - GAZZOLA, G. - PACKARD, N. Efficient discovery and optimization of complex high-throughput experiments. CATALYSIS TODAY. ISSN 0920-5861, JAN 10 2011, vol. 159, no. 1, p. 55-63. [WOS]
--- LIU, Y. - FANG, J. - YUAN, X. Computational Intelligence Based Material Design and Optimization. SPORTS MATERIALS, MODELLING AND SIMULATION. ISSN 1022-6680, 2011, vol. 187, p. 338-342. [WOS]
--- MOORE, K.W. - PECHEN, A. - FENG, X.J. - DOMINY, J. - BELTRANI, V.J. - RABITZ, H. Why is chemical synthesis and property optimization easier than expected?. PHYSICAL CHEMISTRY CHEMICAL PHYSICS. ISSN 1463-9076, 2011, vol. 13, no. 21, p. 10048-10070. [WOS]
--- MOORE, K.W. - PECHEN, A. - FENG, X.J. - DOMINY, J. - BELTRANI, V. - RABITZ, H. Universal characteristics of chemical synthesis and property optimization. CHEMICAL SCIENCE. ISSN 2041-6520, 2011, vol. 2, no. 3, p. 417-424. [WOS]
--- KUSTOV, L.M. Combined Catalysis. RUSSIAN JOURNAL OF GENERAL CHEMISTRY. ISSN 1070-3632, DEC 2010, vol. 80, no. 12, p. 2527-2540. [WOS]
--- KARTHIC, P. - JOSEPH, S. - ARUN, N. - VARGHESE, L.A. - SANTHIAGU, A. Biohydrogen production using anaerobic mixed bacteria: Process parameters optimization studies. JOURNAL OF RENEWABLE AND SUSTAINABLE ENERGY. ISSN 1941-7012, NOV 2013, vol. 5, no. 6. [WOS]
--- GUNAY, M.E. - YILDIRIM, R. Knowledge Extraction from Catalysis of the Past: A Case of Selective CO Oxidation over Noble Metal Catalysts between 2000 and 2012. CHEMCATCHEM. ISSN 1867-3880, JUN 2013, vol. 5, no. 6, p. 1395-1406. [WOS]
--- NIAEI, A. - BADIKI, T.M. - NABAVI, S.R. - SALARI, D. - IZADKHAH, B. - CAYLAK, N. Neuro-genetic aided design of modified H-ZSM-5 catalyst for catalytic conversion of methanol to gasoline range hydrocarbons. JOURNAL OF THE TAIWAN INSTITUTE OF CHEMICAL ENGINEERS. ISSN 1876-1070, MAR 2013, vol. 44, no. 2, p. 247-256. [WOS]
--- SCHUNK, S.A. - BOHMER, N. - FUTTER, C. - KUSCHEL, A. - PRASETYO, E. - ROUSSIERE, T. High throughput technology: approaches of research in homogeneous and heterogeneous catalysis. CATALYSIS, VOL 25. ISSN 0140-0568, 2013, vol. 25, p. 172-215. [WOS]
--- PEELA, N.R. - LEE, I.C. - VLACHOS, D.G. Design and Fabrication of a High-Throughput Microreactor and Its Evaluation for Highly Exothermic Reactions. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH. ISSN 0888-5885, DEC 19 2012, vol. 51, no. 50, p. 16270-16277. [WOS]
--- XIONG, Z. - HE, Y.Y. - HATTRICK-SIMPERS, J.R. - HU, J.J. Automated Phase Segmentation for Large-Scale X-ray Diffraction Data Using a Graph-Based Phase Segmentation (GPhase) Algorithm. ACS COMBINATORIAL SCIENCE. ISSN 2156-8952, MAR 2017, vol. 19, no. 3, p. 137-144. [WOS]
--- HERNANDEZ-PICHARDO, M.L. - MACIAS-SALINAS, R. Modeling the n-Hexane Isomerization over Iron Promoted Pt/WOx-ZrO2 Catalysts Using Artificial Neural Networks. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH. ISSN 0888-5885, AUG 17 2016, vol. 55, no. 32, p. 8883-8889. [WOS]
--- MIRZAEI, A.A. - GOLESTAN, S. - BARAKATI, S.M. Prediction of Fe-Co-Mn/MgO Catalytic Activity in Fischer-Tropsch Synthesis Using Nu-support Vector Regression. PHYSICAL CHEMISTRY RESEARCH. ISSN 2322-5521, SUM 2016, vol. 4, no. 3, p. 391-405. [WOS]
--- LE, T.C. - WINKLER, D.A. Discovery and Optimization of Materials Using Evolutionary Approaches. CHEMICAL REVIEWS. ISSN 0009-2665, MAY 25 2016, vol. 116, no. 10, p. 6107-6132. [WOS]
--- HATTRICK-SIMPERS, J.R. - GREGOIRE, J.M. - KUSNE, A.G. Perspective: Composition-structure-property mapping in high-throughput experiments: Turning data into knowledge. APL MATERIALS. ISSN 2166-532X, MAY 2016, vol. 4, no. 5. [WOS]
--- SCHILLING, L.H. - NIEKIEL, F. - STOCK, N. - HARTKE, B. Computer-Assisted Synthesis Optimisation of Inorganic-Organic Hybrid Compounds Using the Local Optimisation Algorithm BOBYQA. CHEMPLUSCHEM. ISSN 2192-6506, JUN 2014, vol. 79, no. 6, p. 863-871. [WOS]
--- LI, S.B. - XIONG, Z. - HU, J.J. Inferring phase diagrams from X-ray data with background signals using graph segmentation. MATERIALS SCIENCE AND TECHNOLOGY. ISSN 0267-0836, 2018, vol. 34, no. 3, p. 315-326. [WOS]
--- LI, H. - ZHANG, Z. - LIU, Z.J. Application of Artificial Neural Networks for Catalysis: A Review. CATALYSTS. ISSN 2073-4344, OCT 2017, vol. 7, no. 10. [WOS]
--- BAHRAMI, S. - NIAEI, A. - ILLAN-GOMEZ, M.J. - TARJOMANNEJAD, A. - MOUSAVI, S.M. - ALBALADEJO-FUENTES, V. Catalytic reduction of NO by CO over CeO2-MOx (0.25) (M = Mn, Fe and Cu) mixed oxides-Modeling and optimization of catalyst preparation by hybrid ANN-GA. JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING. ISSN 2213-3437, OCT 2017, vol. 5, no. 5, p. 4937-4947. [WOS]
--- BAUMES, L.A. - DE JULIAN-ORTIZ, J.V. Sampling Methodologies for High Throughput Materials Discovery. MATCH-COMMUNICATIONS IN MATHEMATICAL AND IN COMPUTER CHEMISTRY. ISSN 0340-6253, 2017, vol. 78, no. 3, p. 511-526. [WOS]
Permanent Link: http://hdl.handle.net/11104/0000125