-
1
-
-
0038376823
-
Electrospray ionization tandem mass spectrometry in high-throughput screening of homogeneous catalysts
-
P. Chen, " Electrospray ionization tandem mass spectrometry in high-throughput screening of homogeneous catalysts," Angew. Chem., Int. Ed. 42, 2832 (2003). 10.1002/anie.200200560
-
(2003)
Angew. Chem., Int. Ed.
, vol.42
, pp. 2832
-
-
Chen, P.1
-
2
-
-
34548091283
-
Combinatorial and high-throughput materials science
-
W. F. Maier, K. Stöwe, and S. Sieg, " Combinatorial and high-throughput materials science," Angew. Chem., Int. Ed. Engl. 46, 6016 (2007). 10.1002/anie.200603675
-
(2007)
Angew. Chem., Int. Ed. Engl.
, vol.46
, pp. 6016
-
-
Maier, W.F.1
Stöwe, K.2
Sieg, S.3
-
3
-
-
84880803154
-
Applications of high throughput (combinatorial) methodologies to electronic, magnetic, optical, and energy-related materials
-
M. L. Green, I. Takeuchi, and J. R. Hattrick-Simpers, " Applications of high throughput (combinatorial) methodologies to electronic, magnetic, optical, and energy-related materials," J. Appl. Phys. 113, 231101 (2013). 10.1063/1.4803530
-
(2013)
J. Appl. Phys.
, vol.113
-
-
Green, M.L.1
Takeuchi, I.2
Hattrick-Simpers, J.R.3
-
4
-
-
33645635186
-
Combinatorial search of thermoelastic shape-memory alloys with extremely small hysteresis width
-
J. Cui, Y. S. Chu, O. O. Famodu, Y. Furuya, J. Hattrick-Simpers, R. D. James, A. Ludwig, S. Thienhaus, M. Wuttig, Z. Y. Zhang, and I. Takeuchi, " Combinatorial search of thermoelastic shape-memory alloys with extremely small hysteresis width," Nat. Mater. 5, 286 (2006). 10.1038/nmat1593
-
(2006)
Nat. Mater.
, vol.5
, pp. 286
-
-
Cui, J.1
Chu, Y.S.2
Famodu, O.O.3
Furuya, Y.4
Hattrick-Simpers, J.5
James, R.D.6
Ludwig, A.7
Thienhaus, S.8
Wuttig, M.9
Zhang, Z.Y.10
Takeuchi, I.11
-
5
-
-
77950231013
-
3
-
3," Adv. Funct. Mater. 20, 1108 (2010). 10.1002/adfm.200902017
-
(2010)
Adv. Funct. Mater.
, vol.20
, pp. 1108
-
-
Kan, D.1
Pálová, L.2
Anbusathaiah, V.3
Cheng, C.J.4
Fujino, S.5
Nagarajan, V.6
Rabe, K.M.7
Takeuchi, I.8
-
6
-
-
33646444730
-
Catalytic production of olefin block copolymers via chain shuttling polymerization
-
D. J. Arriola, E. M. Carnahan, P. D. Hustad, R. L. Kuhlman, and T. T. Wenzel, " Catalytic production of olefin block copolymers via chain shuttling polymerization," Science 312 (5774), 714 (2006). 10.1126/science.1125268
-
(2006)
Science
, vol.312
, Issue.5774
, pp. 714
-
-
Arriola, D.J.1
Carnahan, E.M.2
Hustad, P.D.3
Kuhlman, R.L.4
Wenzel, T.T.5
-
7
-
-
84971509375
-
-
M. L. Green, J. R. Hattrick-Simpers, C. Choi, I. Takeuchi, A. M. Joshi, S. C. Barron, T. Chiang, A. Davydov, S. Empedocles, J. M. Gregoire, and A. Mehta, Fulfilling the Promise of the Materials Genome Initiative via High-Throughput Experimentation, MRS, 2014, available at http://www.mrs.org/mgi-workshop-2014/.
-
(2014)
Fulfilling the Promise of the Materials Genome Initiative Via High-Throughput Experimentation, MRS
-
-
Green, M.L.1
Hattrick-Simpers, J.R.2
Choi, C.3
Takeuchi, I.4
Joshi, A.M.5
Barron, S.C.6
Chiang, T.7
Davydov, A.8
Empedocles, S.9
Gregoire, J.M.10
Mehta, A.11
-
10
-
-
20644433744
-
Data management and visualization of x-ray diffraction spectra from thin film ternary composition spreads
-
I. Takeuchi, C. J. Long, O. O. Famodu, M. Murakami, J. Hattrick-Simpers, G. W. Rubloff, M. Stukowski, and K. Rajan, " Data management and visualization of x-ray diffraction spectra from thin film ternary composition spreads," Rev. Sci. Instrum. 76, 62223 (2005). 10.1063/1.1927079
-
(2005)
Rev. Sci. Instrum.
, vol.76
, pp. 62223
-
-
Takeuchi, I.1
Long, C.J.2
Famodu, O.O.3
Murakami, M.4
Hattrick-Simpers, J.5
Rubloff, G.W.6
Stukowski, M.7
Rajan, K.8
-
11
-
-
2642568597
-
Optimization of Cu oxide catalysts for methanol synthesis by combinatorial tools using 96 well microplates, artificial neural network and genetic algorithm
-
Y. Watanabe, T. Umegaki, M. Hashimoto, K. Omata, and M. Yamada, " Optimization of Cu oxide catalysts for methanol synthesis by combinatorial tools using 96 well microplates, artificial neural network and genetic algorithm," Catal. Today 89, 455 (2004). 10.1016/j.cattod.2004.02.001
-
(2004)
Catal. Today
, vol.89
, pp. 455
-
-
Watanabe, Y.1
Umegaki, T.2
Hashimoto, M.3
Omata, K.4
Yamada, M.5
-
12
-
-
0346304811
-
Application of a genetic algorithm and a neural network for the discovery and optimization of new solid catalytic materials
-
U. Rodemerck, M. Baerns, M. Holena, and D. Wolf, " Application of a genetic algorithm and a neural network for the discovery and optimization of new solid catalytic materials," Appl. Surf. Sci. 223, 168 (2004). 10.1016/S0169-4332(03)00919-X
-
(2004)
Appl. Surf. Sci.
, vol.223
, pp. 168
-
-
Rodemerck, U.1
Baerns, M.2
Holena, M.3
Wolf, D.4
-
13
-
-
84927934764
-
Generating information-rich high-throughput experimental materials genomes using functional clustering via multitree genetic programming and information theory
-
S. K. Suram, J. A. Haber, J. Jin, and J. M. Gregoire, " Generating information-rich high-throughput experimental materials genomes using functional clustering via multitree genetic programming and information theory," ACS Comb. Sci. 17, 224 (2015). 10.1021/co5001579
-
(2015)
ACS Comb. Sci.
, vol.17
, pp. 224
-
-
Suram, S.K.1
Haber, J.A.2
Jin, J.3
Gregoire, J.M.4
-
15
-
-
50249144189
-
Combinatorial materials sciences: Experimental strategies for accelerated knowledge discovery
-
K. Rajan, " Combinatorial materials sciences: Experimental strategies for accelerated knowledge discovery," Annu. Rev. Mater. Res. 38, 299 (2008). 10.1146/annurev.matsci.38.060407.130217
-
(2008)
Annu. Rev. Mater. Res.
, vol.38
, pp. 299
-
-
Rajan, K.1
-
16
-
-
81255158420
-
Combinatorial and high-throughput screening of materials libraries: Review of state of the art
-
R. Potyrailo, K. Rajan, K. Stoewe, I. Takeuchi, B. Chisholm, and H. Lam, " Combinatorial and high-throughput screening of materials libraries: Review of state of the art," ACS Comb. Sci. 13, 579 (2011). 10.1021/co200007w
-
(2011)
ACS Comb. Sci.
, vol.13
, pp. 579
-
-
Potyrailo, R.1
Rajan, K.2
Stoewe, K.3
Takeuchi, I.4
Chisholm, B.5
Lam, H.6
-
17
-
-
34547561033
-
Rapid structural mapping of ternary metallic alloy systems using the combinatorial approach and cluster analysis
-
C. J. Long, J. Hattrick-Simpers, M. Murakami, R. C. Srivastava, I. Takeuchi, V. L. Karen, and X. Li, " Rapid structural mapping of ternary metallic alloy systems using the combinatorial approach and cluster analysis," Rev. Sci. Instrum. 78, 072217 (2007). 10.1063/1.2755487
-
(2007)
Rev. Sci. Instrum.
, vol.78
-
-
Long, C.J.1
Hattrick-Simpers, J.2
Murakami, M.3
Srivastava, R.C.4
Takeuchi, I.5
Karen, V.L.6
Li, X.7
-
18
-
-
80052985532
-
Constraint reasoning and kernel clustering for pattern decomposition with scaling
-
(Springer Berlin Heidelberg)
-
R. LeBras, T. Damoulas, J. M. Gregoire, A. Sabharwal, C. P. Gomes, and R. B. van Dover, " Constraint reasoning and kernel clustering for pattern decomposition with scaling," in Principles and Practice of Constraint Programming-CP 2011 (Springer Berlin Heidelberg, 2011), pp. 508-522. 10.1007/978-3-642-23786-7-39
-
(2011)
Principles and Practice of Constraint Programming - CP 2011
, pp. 508-522
-
-
LeBras, R.1
Damoulas, T.2
Gregoire, J.M.3
Sabharwal, A.4
Gomes, C.P.5
Van Dover, R.B.6
-
19
-
-
37849041265
-
On the use of 2-D moment invariants for the automated classification of particle shapes
-
J. P. MacSleyne, J. P. Simmons, and M. De Graef, " On the use of 2-D moment invariants for the automated classification of particle shapes," Acta Mater. 56, 427 (2008). 10.1016/j.actamat.2007.09.039
-
(2008)
Acta Mater.
, vol.56
, pp. 427
-
-
MacSleyne, J.P.1
Simmons, J.P.2
De Graef, M.3
-
20
-
-
84944340073
-
High-throughput determination of structural phase diagram and constituent phases using GRENDEL
-
A. G. Kusne, D. Keller, A. Anderson, A. Zaban, and I. Takeuchi, " High-throughput determination of structural phase diagram and constituent phases using GRENDEL," Nanotechnology 26, 444002 (2015). 10.1088/0957-4484/26/44/444002
-
(2015)
Nanotechnology
, vol.26
-
-
Kusne, A.G.1
Keller, D.2
Anderson, A.3
Zaban, A.4
Takeuchi, I.5
-
21
-
-
84934969998
-
Generalized machine learning technique for automatic phase attribution in time variant high-throughput experimental studies
-
J. K. Bunn, S. Han, Y. Tong, Y. Zhang, J. Hu, and J. R. Hattrick-Simpers, " Generalized machine learning technique for automatic phase attribution in time variant high-throughput experimental studies," J. Mater. Res. 30, 879 (2015). 10.1557/jmr.2015.80
-
(2015)
J. Mater. Res.
, vol.30
, pp. 879
-
-
Bunn, J.K.1
Han, S.2
Tong, Y.3
Zhang, Y.4
Hu, J.5
Hattrick-Simpers, J.R.6
-
22
-
-
70350761965
-
Rapid identification of structural phases in combinatorial thin-film libraries using x-ray diffraction and non-negative matrix factorization
-
C. J. Long, D. Bunker, X. Li, V. L. Karen, and I. Takeuchi, " Rapid identification of structural phases in combinatorial thin-film libraries using x-ray diffraction and non-negative matrix factorization," Rev. Sci. Instrum. 80, 103902 (2009). 10.1063/1.3216809
-
(2009)
Rev. Sci. Instrum.
, vol.80
-
-
Long, C.J.1
Bunker, D.2
Li, X.3
Karen, V.L.4
Takeuchi, I.5
-
23
-
-
84959500149
-
Pattern decomposition with complex combinatorial constraints: Application to materials discovery
-
S. Ermon, R. LeBras, S. K. Suram, J. M. Gregoire, C. P. Gomes, B. Selman, and R. B. van Dover, " Pattern decomposition with complex combinatorial constraints: Application to materials discovery," in Proceedings of the 29th AAAI International Conference on Artificial Intelligence (AAAI, 2014).
-
(2014)
Proceedings of the 29th AAAI International Conference on Artificial Intelligence (AAAI)
-
-
Ermon, S.1
LeBras, R.2
Suram, S.K.3
Gregoire, J.M.4
Gomes, C.P.5
Selman, B.6
Van Dover, R.B.7
-
24
-
-
84971572463
-
Principles and practice of constraint programming-CP 2011
-
12-16 September 2011 (Springer Science & Business Media)
-
J. Lee, " Principles and practice of constraint programming-CP 2011," in Proceedings of the 17th International Conference on CP 2011, Perugia, Italy, 12-16 September 2011 (Springer Science & Business Media, 2011).
-
(2011)
Proceedings of the 17th International Conference on CP 2011, Perugia, Italy
-
-
Lee, J.1
-
25
-
-
84908210888
-
A computational challenge problem in materials discovery: Synthetic problem generator and real-world datasets
-
R. LeBras, R. Bernstein, J. M. Gregoire, S. K. Suram, C. P. Gomes, B. Selman, and R. B. van Dover, " A computational challenge problem in materials discovery: Synthetic problem generator and real-world datasets," in Proceedings of the 28th AAAI International Conference on Artificial Intelligence (AAAI, 2014).
-
(2014)
Proceedings of the 28th AAAI International Conference on Artificial Intelligence (AAAI)
-
-
LeBras, R.1
Bernstein, R.2
Gregoire, J.M.3
Suram, S.K.4
Gomes, C.P.5
Selman, B.6
Van Dover, R.B.7
-
26
-
-
79551656359
-
A wavelet transform algorithm for peak detection and application to powder x-ray diffraction data
-
J. M. Gregoire, D. Dale, and R. B. van Dover, " A wavelet transform algorithm for peak detection and application to powder x-ray diffraction data," Rev. Sci. Instrum. 82, 015105 (2011). 10.1063/1.3505103
-
(2011)
Rev. Sci. Instrum.
, vol.82
-
-
Gregoire, J.M.1
Dale, D.2
Van Dover, R.B.3
-
27
-
-
0003684449
-
-
2nd ed. (Springer, New York)
-
T. Hastie, R. Tibshirani, and J. Friedman, The Elements of Statistical Learning: Data Mining, Inference, and Prediction, 2nd ed. (Springer, New York, 2009).
-
(2009)
The Elements of Statistical Learning: Data Mining, Inference, and Prediction
-
-
Hastie, T.1
Tibshirani, R.2
Friedman, J.3
-
28
-
-
84923314848
-
On-The-fly machine-learning for high-throughput experiments: Search for rare-earth-free permanent magnets
-
A. G. Kusne, T. Gao, A. Mehta, L. Ke, M. C. Nguyen, K.-M. Ho, V. Antropov, C.-Z. Wang, M. J. Kramer, C. Long, and I. Takeuchi, " On-the-fly machine-learning for high-throughput experiments: Search for rare-earth-free permanent magnets," Sci. Rep. 4, 6367 (2014). 10.1038/srep06367
-
(2014)
Sci. Rep.
, vol.4
, pp. 6367
-
-
Kusne, A.G.1
Gao, T.2
Mehta, A.3
Ke, L.4
Nguyen, M.C.5
Ho, K.-M.6
Antropov, V.7
Wang, C.-Z.8
Kramer, M.J.9
Long, C.10
Takeuchi, I.11
-
29
-
-
52649099973
-
A reliable methodology for high throughput identification of a mixture of crystallographic phases from powder x-ray diffraction data
-
L. A. Baumes, M. Moliner, N. Nicoloyannis, and A. Corma, " A reliable methodology for high throughput identification of a mixture of crystallographic phases from powder x-ray diffraction data," CrystEngComm 10, 1321 (2008). 10.1039/b812395k
-
(2008)
CrystEngComm
, vol.10
, pp. 1321
-
-
Baumes, L.A.1
Moliner, M.2
Nicoloyannis, N.3
Corma, A.4
-
30
-
-
84971517080
-
Comparison of various metrics for cluster analysis of combinatorial x-ray diffraction data
-
(submitted)
-
Y. Iwasaki, A. G. Kusne, and I. Takeuchi, " Comparison of various metrics for cluster analysis of combinatorial x-ray diffraction data," Nature Computational Materials (submitted).
-
Nature Computational Materials
-
-
Iwasaki, Y.1
Kusne, A.G.2
Takeuchi, I.3
-
31
-
-
84896061157
-
Crowdsourcing backdoor identification for combinatorial optimization
-
R. LeBras, R. Bernstein, C. P. Gomes, B. Selman, and R. B. van Dover, " Crowdsourcing backdoor identification for combinatorial optimization," in Proceedings of the 23rd International Joint Conference on Artificial Intelligence, International Joint Conference on Artificial Intelligence (AAAI, 2012).
-
(2012)
Proceedings of the 23rd International Joint Conference on Artificial Intelligence, International Joint Conference on Artificial Intelligence (AAAI)
-
-
LeBras, R.1
Bernstein, R.2
Gomes, C.P.3
Selman, B.4
Van Dover, R.B.5
-
32
-
-
0242387681
-
The application of principal component analysis to materials science data
-
C. Suh, A. Rajagopalan, X. Li, and K. Rajan, " The application of principal component analysis to materials science data," Data Sci. J. 1, 19 (2002). 10.2481/dsj.1.19
-
(2002)
Data Sci. J.
, vol.1
, pp. 19
-
-
Suh, C.1
Rajagopalan, A.2
Li, X.3
Rajan, K.4
-
33
-
-
85016437770
-
Machine learning in materials science: Recent progress and emerging applications
-
T. Mueller, A. G. Kusne, and R. Ramprasad, " Machine learning in materials science: Recent progress and emerging applications," Rev. Comput. Chem. 29, 186 (2016). 10.1002/9781119148739.ch4
-
(2016)
Rev. Comput. Chem.
, vol.29
, pp. 186
-
-
Mueller, T.1
Kusne, A.G.2
Ramprasad, R.3
-
34
-
-
84864264966
-
SMT-aided combinatorial materials discovery
-
(Springer)
-
S. Ermon, R. LeBras, C. P. Gomes, B. Selman, and R. B. van Dover, " Smt-aided combinatorial materials discovery," in Theory and Applications of Sustainability Testing-SAT 2012 (Springer, 2012), p. 172. 10.1007/978-3-642-31612-8-14
-
(2012)
Theory and Applications of Sustainability Testing-SAT 2012
, pp. 172
-
-
Ermon, S.1
LeBras, R.2
Gomes, C.P.3
Selman, B.4
Van Dover, R.B.5
-
35
-
-
85016277282
-
An integrated graph cuts segmentation and piece-wise convex unmixing approach for hyperspectral imaging
-
(IEEE)
-
P. Massoudifar, A. Rangarajan, A. Zare, and P. Gader, " An integrated graph cuts segmentation and piece-wise convex unmixing approach for hyperspectral imaging," 6th IEEE Workshop on Hyperspectral Image and Signal Processing: Evolution in Remote Sensing (WHISPERS) (IEEE, 2014).
-
(2014)
6th IEEE Workshop on Hyperspectral Image and Signal Processing: Evolution in Remote Sensing (WHISPERS)
-
-
Massoudifar, P.1
Rangarajan, A.2
Zare, A.3
Gader, P.4
-
36
-
-
84971575702
-
-
See supplementary material at http://dx.doi.org/10.1063/1.4950995 E-AMPADS-4-014693 for the AutoPhase workflow diagram in Figure S1 and the GRENDEL workflow diagram in Figure S2.
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-
-
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