Fulfilling the promise of the materials genome initiative with high-throughput experimental methodologies

Green, Martin L.; Choi, C. L.; Hattrick-Simpers, J. R.; Joshi, A. M.; Takeuchi, I.; Barron, S. C.; Campo, E.; Chiang, T.; Empedocles, S.; Gregoire, J. M.; Kusne, A. G.; Martin, J.; Mehta, A.; Persson, K.; Trautt, Z.; Van Duren, J.; Zakutayev, A.

doi:10.1063/1.4977487

Title: Fulfilling the promise of the materials genome initiative with high-throughput experimental methodologies

Journal Article · Tue Mar 28 00:00:00 EDT 2017 · Applied Physics Reviews

DOI:https://doi.org/10.1063/1.4977487· OSTI ID:1352994

Green, Martin L. ^[1]; Choi, C. L. ^[2]; Hattrick-Simpers, J. R. ^[1]; Joshi, A. M. ^[3]; Takeuchi, I. ^[4]; Barron, S. C. ^[5];

^[6]; Chiang, T. ^[7]; Empedocles, S. ^[8]; Gregoire, J. M. ^[9]; Kusne, A. G. ^[1]; Martin, J. ^[1]; Mehta, A. ^[10]; Persson, K. ^[11];

^[1]; Van Duren, J. ^[7]; Zakutayev, A. ^[12]

National Institute of Standards and Technology (NIST), Gaithersburg, MD (United States)
Google, Mountain View, CA (United States)
Applied Materials, Inc., Santa Clara, CA (United States)
Univ. of Maryland, College Park, MD (United States)
Charles Stark Draper Lab., Cambridge, MA (United States)
Bangor Univ., Gwynedd (United Kingdom)
Intermolecular, Inc., San Jose, CA (United States)
Clark Street Assoc., Palo Alto, CA (United States)
Joint Center for Artificial Photosynthesis (JCAP), Pasadena, CA (United States)
SLAC National Accelerator Lab., Menlo Park, CA (United States)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
National Renewable Energy Lab. (NREL), Golden, CO (United States)

The Materials Genome Initiative, a national effort to introduce new materials into the market faster and at lower cost, has made significant progress in computational simulation and modeling of materials. To build on this progress, a large amount of experimental data for validating these models, and informing more sophisticated ones, will be required. High-throughput experimentation generates large volumes of experimental data using combinatorial materials synthesis and rapid measurement techniques, making it an ideal experimental complement to bring the Materials Genome Initiative vision to fruition. This paper reviews the state-of-the-art results, opportunities, and challenges in high-throughput experimentation for materials design. As a result, a major conclusion is that an effort to deploy a federated network of high-throughput experimental (synthesis and characterization) tools, which are integrated with a modern materials data infrastructure, is needed.

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Research Organization:: National Renewable Energy Laboratory (NREL), Golden, CO (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE); NREL Laboratory Directed Research and Development (LDRD)

Grant/Contract Number:: AC36-08GO28308; SC0004993

OSTI ID:: 1352994

Alternate ID(s):: OSTI ID: 1462600

Report Number(s):: NREL/JA-5K00-68391

Journal Information:: Applied Physics Reviews, Vol. 4, Issue 1; ISSN 1931-9401

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 196 works

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References (134)

The combinatorial synthesis and evaluation of functional materials Xiang, X. -D.; Schultz, P. G. Physica C: Superconductivity, Vol. 282-287 https://doi.org/10.1016/S0921-4534(97)00297-9	journal	August 1997
Parallel Analysis of the Reaction Products from Combinatorial Catalyst Libraries Snively, Chris M.; Oskarsdottir, Gudbjorg; Lauterbach, Jochen Angewandte Chemie International Edition, Vol. 40, Issue 16 https://doi.org/10.1002/1521-3773(20010817)40:16<3028::AID-ANIE3028>3.0.CO;2-X	journal	August 2001
Non-equilibrium origin of high electrical conductivity in gallium zinc oxide thin films Zakutayev, Andriy; Perry, Nicola H.; Mason, Thomas O. Applied Physics Letters, Vol. 103, Issue 23 https://doi.org/10.1063/1.4841355	journal	December 2013
A High-Throughput Approach Developing Lithium-Niobium-Tantalum Oxides as Electrolyte/Cathode Interlayers for High-Voltage All-Solid-State Lithium Batteries Yada, Chihiro; Lee, Christopher E.; Laughman, David Journal of The Electrochemical Society, Vol. 162, Issue 4 https://doi.org/10.1149/2.0661504jes	journal	January 2015
The Materials Super Highway: Integrating High-Throughput Experimentation into Mapping the Catalysis Materials Genome Hattrick-Simpers, Jason; Wen, Cun; Lauterbach, Jochen Catalysis Letters, Vol. 145, Issue 1 https://doi.org/10.1007/s10562-014-1442-y	journal	November 2014
The development of coatings using combinatorial/high throughput methods: a review of the current status Chisholm, Bret J.; Webster, Dean C. Journal of Coatings Technology and Research, Vol. 4, Issue 1 https://doi.org/10.1007/s11998-007-9000-9	journal	March 2007
Novel mixed polyanions lithium-ion battery cathode materials predicted by high-throughput ab initio computations Hautier, Geoffroy; Jain, Anubhav; Chen, Hailong Journal of Materials Chemistry, Vol. 21, Issue 43 https://doi.org/10.1039/c1jm12216a	journal	January 2011
High-throughput determination of structural phase diagram and constituent phases using GRENDEL Kusne, A. G.; Keller, D.; Anderson, A. Nanotechnology, Vol. 26, Issue 44 https://doi.org/10.1088/0957-4484/26/44/444002	journal	October 2015
Giant negative magnetoresistance in perovskitelike ${La}_{2 / 3}$ ${Ba}_{1 / 3}$ ${MnO}_{x}$ ferromagnetic films von Helmolt, R.; Wecker, J.; Holzapfel, B. Physical Review Letters, Vol. 71, Issue 14 https://doi.org/10.1103/PhysRevLett.71.2331	journal	October 1993
Strategy for Extensible, Evolving Terminology for the Materials Genome Initiative Efforts Bhat, Talapady N.; Bartolo, Laura M.; Kattner, Ursula R. JOM, Vol. 67, Issue 8 https://doi.org/10.1007/s11837-015-1487-4	journal	July 2015
Perspective: Composition–structure–property mapping in high-throughput experiments: Turning data into knowledge Hattrick-Simpers, Jason R.; Gregoire, John M.; Kusne, A. Gilad APL Materials, Vol. 4, Issue 5 https://doi.org/10.1063/1.4950995	journal	May 2016
In Silico Design in Homogeneous Catalysis Using Descriptor Modelling Burello, Enrico; Rothenberg, Gadi International Journal of Molecular Sciences, Vol. 7, Issue 9 https://doi.org/10.3390/i7090375	journal	September 2006
Olefin polymer technologies—History and recent progress at The Dow Chemical Company Chum, P. Steve; Swogger, Kurt W. Progress in Polymer Science, Vol. 33, Issue 8 https://doi.org/10.1016/j.progpolymsci.2008.05.003	journal	August 2008
Development of a high-throughput thermoelectric screening tool for combinatorial thin film libraries Otani, M.; Itaka, K.; Wong-Ng, W. Applied Surface Science, Vol. 254, Issue 3 https://doi.org/10.1016/j.apsusc.2007.05.091	journal	November 2007
The use of atomic layer deposition in advanced nanopatterning Mackus, A. J. M.; Bol, A. A.; Kessels, W. M. M. Nanoscale, Vol. 6, Issue 19 https://doi.org/10.1039/C4NR01954G	journal	January 2014
Spinel compounds as multivalent battery cathodes: a systematic evaluation based on ab initio calculations Liu, Miao; Rong, Ziqin; Malik, Rahul Energy & Environmental Science, Vol. 8, Issue 3 https://doi.org/10.1039/C4EE03389B	journal	January 2015
On-the-fly machine-learning for high-throughput experiments: search for rare-earth-free permanent magnets Kusne, Aaron Gilad; Gao, Tieren; Mehta, Apurva Scientific Reports, Vol. 4, Issue 1 https://doi.org/10.1038/srep06367	journal	September 2014
Development of solar fuels photoanodes through combinatorial integration of Ni–La–Co–Ce oxide catalysts on BiVO ₄ Guevarra, D.; Shinde, A.; Suram, S. K. Energy & Environmental Science, Vol. 9, Issue 2 https://doi.org/10.1039/C5EE03488D	journal	January 2016
Materials informatics: An emerging technology for materials development LeSar, Richard Statistical Analysis and Data Mining, Vol. 1, Issue 6 https://doi.org/10.1002/sam.10034	journal	June 2009
Thermoelectrics Handbook: Macro to Nano Rowe, D. M. https://doi.org/10.1201/9781420038903	book	January 2017
High-Throughput Screening for Combinatorial Thin-Film Library of Thermoelectric Materials Watanabe, Masaki; Kita, Takuji; Fukumura, Tomoteru Journal of Combinatorial Chemistry, Vol. 10, Issue 2 https://doi.org/10.1021/cc700094a	journal	March 2008
High-throughput measurements of materials properties Zhao, Ji-Cheng; Zheng, Xuan; Cahill, David G. JOM, Vol. 63, Issue 3 https://doi.org/10.1007/s11837-011-0044-z	journal	March 2011
A Combinatorial Approach to Materials Discovery Xiang, X. -D.; Sun, X.; Briceno, G. Science, Vol. 268, Issue 5218 https://doi.org/10.1126/science.268.5218.1738	journal	June 1995
Rapid Screening of BiVO ₄ -Based Photocatalysts by Scanning Electrochemical Microscopy (SECM) and Studies of Their Photoelectrochemical Properties Ye, Heechang; Lee, Joowook; Jang, Jum Suk The Journal of Physical Chemistry C, Vol. 114, Issue 31 https://doi.org/10.1021/jp104343b	journal	July 2010
Accelerating Electrolyte Discovery for Energy Storage with High-Throughput Screening Cheng, Lei; Assary, Rajeev S.; Qu, Xiaohui The Journal of Physical Chemistry Letters, Vol. 6, Issue 2 https://doi.org/10.1021/jz502319n	journal	January 2015
Analysis of heat flow in layered structures for time-domain thermoreflectance Cahill, David G. Review of Scientific Instruments, Vol. 75, Issue 12 https://doi.org/10.1063/1.1819431	journal	December 2004
Gaussian Approximation Potentials: the accuracy of quantum mechanics, without the electrons Bartók, Albert P.; Payne, Mike C.; Kondor, Risi arXiv https://doi.org/10.48550/arxiv.0910.1019	text	January 2009
Material optimization via combinatorial deposition and analysis for thermoelectric thin films Snyder, Ryan D.; Thomas, Evan L.; Voevodin, Andrey A. Thin Solid Films, Vol. 596 https://doi.org/10.1016/j.tsf.2015.08.054	journal	December 2015
The Electrolyte Genome project: A big data approach in battery materials discovery Qu, Xiaohui; Jain, Anubhav; Rajput, Nav Nidhi Computational Materials Science, Vol. 103 https://doi.org/10.1016/j.commatsci.2015.02.050	journal	June 2015
Air quality monitoring and fire detection with the Karlsruhe electronic micronose KAMINA Arnold, C.; Harms, M.; Goschnick, J. IEEE Sensors Journal, Vol. 2, Issue 3 https://doi.org/10.1109/JSEN.2002.800681	journal	June 2002
The Elements of Statistical Learning Hastie, Trevor; Friedman, Jerome; Tibshirani, Robert Springer Series in Statistics https://doi.org/10.1007/978-0-387-21606-5	book	January 2001
Cantilever transducers as a platform for chemical and biological sensors Lavrik, Nickolay V.; Sepaniak, Michael J.; Datskos, Panos G. Review of Scientific Instruments, Vol. 75, Issue 7 https://doi.org/10.1063/1.1763252	journal	July 2004
A temperature dependent screening tool for high throughput thermoelectric characterization of combinatorial films Yan, Y. G.; Martin, J.; Wong-Ng, W. Review of Scientific Instruments, Vol. 84, Issue 11 https://doi.org/10.1063/1.4830295	journal	November 2013
Combinatorial and High-Throughput Materials Science Maier, Wilhelm F.; Stöwe, Klaus; Sieg, Simone Angewandte Chemie International Edition, Vol. 46, Issue 32 https://doi.org/10.1002/anie.200603675	journal	August 2007
The medicinal chemist's toolbox for late stage functionalization of drug-like molecules Cernak, Tim; Dykstra, Kevin D.; Tyagarajan, Sriram Chemical Society Reviews, Vol. 45, Issue 3 https://doi.org/10.1039/C5CS00628G	journal	January 2016
Predicting Crystal Structures with Data Mining of Quantum Calculations Curtarolo, Stefano; Morgan, Dane; Persson, Kristin Physical Review Letters, Vol. 91, Issue 13 https://doi.org/10.1103/PhysRevLett.91.135503	journal	September 2003
Applications of high throughput (combinatorial) methodologies to electronic, magnetic, optical, and energy-related materials Green, Martin L.; Takeuchi, Ichiro; Hattrick-Simpers, Jason R. Journal of Applied Physics, Vol. 113, Issue 23 https://doi.org/10.1063/1.4803530	journal	June 2013
The Stuff of Dreams Ceder, Gerbrand; Persson, Kristin Scientific American, Vol. 309, Issue 6 https://doi.org/10.1038/scientificamerican1213-36	journal	November 2013
An apparatus for spatially resolved, temperature dependent reflectance measurements for identifying thermochromism in combinatorial thin film libraries Barron, S. C.; Patel, M. P.; Nguyen, Nam Review of Scientific Instruments, Vol. 86, Issue 11 https://doi.org/10.1063/1.4935477	journal	November 2015
A new ultrafast superionic Li-conductor: ion dynamics in Li ₁₁ Si ₂ PS ₁₂ and comparison with other tetragonal LGPS-type electrolytes Kuhn, Alexander; Gerbig, Oliver; Zhu, Changbao Phys. Chem. Chem. Phys., Vol. 16, Issue 28 https://doi.org/10.1039/C4CP02046D	journal	January 2014
Combinatorial study of NaF addition in CIGSe films for high efficiency solar cells: Combinatorial study of NaF addition in CIGSe films Eid, Jessica; Liang, Haifan; Gereige, Issam Progress in Photovoltaics: Research and Applications, Vol. 23, Issue 3 https://doi.org/10.1002/pip.2419	journal	December 2013
Coupling of a scanning flow cell with online electrochemical mass spectrometry for screening of reaction selectivity Grote, Jan-Philipp; Zeradjanin, Aleksandar R.; Cherevko, Serhiy Review of Scientific Instruments, Vol. 85, Issue 10 https://doi.org/10.1063/1.4896755	journal	October 2014
A structure zone diagram obtained by simultaneous deposition on a novel step heater: A case study for Cu ₂ O thin films : Structure zone diagram: A case study for Cu Stein, Helge; Naujoks, Dennis; Grochla, Dario physica status solidi (a), Vol. 212, Issue 12 https://doi.org/10.1002/pssa.201532384	journal	August 2015
Combinatorial synthesis and high-throughput photopotential and photocurrent screening of mixed-metal oxides for photoelectrochemical water splitting Katz, Jordan E.; Gingrich, Todd R.; Santori, Elizabeth A. Energy Environ. Sci., Vol. 2, Issue 1 https://doi.org/10.1039/B812177J	journal	January 2009
Current Status of Combinatorial and High-Throughput Methods for Discovering New Materials and Catalysts Woo, Seong Ihl; Kim, Ki Woong; Cho, Hyun Yong ChemInform, Vol. 36, Issue 28 https://doi.org/10.1002/chin.200528240	journal	July 2005
Combinatorial and High-Throughput Development of Sensing Materials: The First 10 Years Potyrailo, Radislav A.; Mirsky, Vladimir M. Chemical Reviews, Vol. 108, Issue 2 https://doi.org/10.1021/cr068127f	journal	February 2008
Design and Testing of a 64-Channel Combinatorial Electrochemical Cell Fleischauer, M. D.; Hatchard, T. D.; Rockwell, G. P. Journal of The Electrochemical Society, Vol. 150, Issue 11 https://doi.org/10.1149/1.1613670	journal	January 2003
High-Throughput Measurement Method for Time–Temperature-Transformation Diagram of Thin Film Amorphous Alloys Aono, Yuko; Sakurai, Junpei; Ishida, Tetsuo Applied Physics Express, Vol. 3, Issue 12 https://doi.org/10.1143/APEX.3.125601	journal	November 2010
Laser heating and detection of bilayer microcantilevers for non-contact thermodynamic measurements Burke, Brian G.; LaVan, David A. Applied Physics Letters, Vol. 102, Issue 2 https://doi.org/10.1063/1.4776197	journal	January 2013
Identification of a Blue Photoluminescent Composite Material from a Combinatorial Library Wang, J. Science, Vol. 279, Issue 5357 https://doi.org/10.1126/science.279.5357.1712	journal	March 1998
The Elements of Statistical Learning Hastie, Trevor; Tibshirani, Robert; Friedman, Jerome Springer Series in Statistics https://doi.org/10.1007/978-0-387-84858-7	book	January 2009
Combinatorial Synthesis and Evaluation of Functional Inorganic Materials Using Thin-Film Techniques Takeuchi, Ichiro; Dover, Robert Bruce van; Koinuma, Hideomi MRS Bulletin, Vol. 27, Issue 4 https://doi.org/10.1557/mrs2002.97	journal	April 2002
High-throughput growth temperature optimization of ferroelectric SrxBa1−xNb2O6 epitaxial thin films using a temperature gradient method Ohkubo, I.; Christen, H. M.; Kalinin, Sergei V. Applied Physics Letters, Vol. 84, Issue 8 https://doi.org/10.1063/1.1650916	journal	February 2004
Identification of optimal solar fuel electrocatalysts via high throughput in situ optical measurements Shinde, Aniketa; Guevarra, Dan; Haber, Joel A. Journal of Materials Research, Vol. 30, Issue 3 https://doi.org/10.1557/jmr.2014.296	journal	October 2014
The Particle Size Dependence of the Oxygen Reduction Reaction for Carbon-Supported Platinum and Palladium Anastasopoulos, A.; Davies, J. C.; Hannah, L. ChemSusChem, Vol. 6, Issue 10 https://doi.org/10.1002/cssc.201300208	journal	September 2013
Combinatorial approaches as effective tools in the study of phase diagrams and composition–structure–property relationships Zhao, J. Progress in Materials Science, Vol. 51, Issue 5 https://doi.org/10.1016/j.pmatsci.2005.10.001	journal	July 2006
Temperature-gradient epitaxy under in situ growth mode diagnostics by scanning reflection high-energy electron diffraction Koida, T.; Komiyama, D.; Koinuma, H. Applied Physics Letters, Vol. 80, Issue 4 https://doi.org/10.1063/1.1445483	journal	January 2002
Smart Electronic Laboratory Notebooks for the NIST Research Environment Gates, Richard S.; McLean, Mark J.; Osborn, William A. Journal of Research of the National Institute of Standards and Technology, Vol. 120 https://doi.org/10.6028/jres.120.018	journal	January 2015
Mathematical design of linear action masks for binary and ternary composition spread film library Yamamoto, Yukio; Takahashi, Ryota; Matsumoto, Yuji Applied Surface Science, Vol. 223, Issue 1-3 https://doi.org/10.1016/j.apsusc.2003.10.025	journal	February 2004
TiO2/Cu2O all-oxide heterojunction solar cells produced by spray pyrolysis Pavan, Michele; Rühle, Sven; Ginsburg, Adam Solar Energy Materials and Solar Cells, Vol. 132 https://doi.org/10.1016/j.solmat.2014.10.005	journal	January 2015
High Throughput Experimentation (HTE) Directed to the Discovery, Characterization and Evaluation of Materials Newsam, John M. Oil & Gas Science and Technology – Revue d’IFP Energies nouvelles, Vol. 70, Issue 3 https://doi.org/10.2516/ogst/2014040	journal	November 2014
A high-throughput infrastructure for density functional theory calculations Jain, Anubhav; Hautier, Geoffroy; Moore, Charles J. Computational Materials Science, Vol. 50, Issue 8 https://doi.org/10.1016/j.commatsci.2011.02.023	journal	June 2011
Statistical Analysis and Interpolation of Compositional Data in Materials Science Pesenson, Misha Z.; Suram, Santosh K.; Gregoire, John M. ACS Combinatorial Science, Vol. 17, Issue 2 https://doi.org/10.1021/co5001458	journal	January 2015
Neural network potential-energy surfaces in chemistry: a tool for large-scale simulations Behler, Jörg Physical Chemistry Chemical Physics, Vol. 13, Issue 40 https://doi.org/10.1039/c1cp21668f	journal	January 2011
Perovskite solar cells: an emerging photovoltaic technology Park, Nam-Gyu Materials Today, Vol. 18, Issue 2 https://doi.org/10.1016/j.mattod.2014.07.007	journal	March 2015
Discovery of New Oxygen Evolution Reaction Electrocatalysts by Combinatorial Investigation of the Ni-La-Co-Ce Oxide Composition Space Haber, Joel A.; Guevarra, Dan; Jung, Suho ChemElectroChem, Vol. 1, Issue 10 https://doi.org/10.1002/celc.201402149	journal	July 2014
Gaussian Approximation Potentials: The Accuracy of Quantum Mechanics, without the Electrons Bartók, Albert P.; Payne, Mike C.; Kondor, Risi Physical Review Letters, Vol. 104, Issue 13 https://doi.org/10.1103/PhysRevLett.104.136403	journal	April 2010
Phase stability, electrochemical stability and ionic conductivity of the Li _10±1 MP ₂ X ₁₂ (M = Ge, Si, Sn, Al or P, and X = O, S or Se) family of superionic conductors Ong, Shyue Ping; Mo, Yifei; Richards, William Davidson Energy Environ. Sci., Vol. 6, Issue 1 https://doi.org/10.1039/C2EE23355J	journal	January 2013
Combinatorial Investigations of Si-M (M = Cr + Ni, Fe, Mn) Thin Film Negative Electrode Materials Fleischauer, M. D.; Topple, J. M.; Dahn, J. R. Electrochemical and Solid-State Letters, Vol. 8, Issue 2 https://doi.org/10.1149/1.1850395	journal	January 2005
Finding Nature’s Missing Ternary Oxide Compounds Using Machine Learning and Density Functional Theory Hautier, Geoffroy; Fischer, Christopher C.; Jain, Anubhav Chemistry of Materials, Vol. 22, Issue 12 https://doi.org/10.1021/cm100795d	journal	June 2010
High-Throughput Investigation of Catalysts for JP-8 Fuel Cracking to Liquefied Petroleum Gas Bedenbaugh, John E.; Kim, Sungtak; Sasmaz, Erdem ACS Combinatorial Science, Vol. 15, Issue 9 https://doi.org/10.1021/co400048t	journal	August 2013
A Density-Functional Theory-Based Neural Network Potential for Water Clusters Including van der Waals Corrections Morawietz, Tobias; Behler, Jörg The Journal of Physical Chemistry A, Vol. 117, Issue 32 https://doi.org/10.1021/jp401225b	journal	April 2013
High Throughput Methodology for Synthesis, Screening, and Optimization of Solid State Lithium Ion Electrolytes Beal, Mark S.; Hayden, Brian E.; Le Gall, Thierry ACS Combinatorial Science, Vol. 13, Issue 4 https://doi.org/10.1021/co100075f	journal	May 2011
Combinatorial study of the crystallinity boundary in the HfO2–TiO2–Y2O3 system using pulsed laser deposition library thin films Schenck, P. K.; Klamo, J. L.; Bassim, N. D. Thin Solid Films, Vol. 517, Issue 2 https://doi.org/10.1016/j.tsf.2008.08.001	journal	November 2008
Finding Density Functionals with Machine Learning Snyder, John C.; Rupp, Matthias; Hansen, Katja Physical Review Letters, Vol. 108, Issue 25 https://doi.org/10.1103/PhysRevLett.108.253002	journal	June 2012
Negative capacitance in a ferroelectric capacitor Khan, Asif Islam; Chatterjee, Korok; Wang, Brian Nature Materials, Vol. 14, Issue 2 https://doi.org/10.1038/nmat4148	journal	December 2014
When is PBL More Effective? A Meta-synthesis of Meta-analyses Comparing PBL to Conventional Classrooms Strobel, Johannes; van Barneveld, Angela Interdisciplinary Journal of Problem-Based Learning, Vol. 3, Issue 1 https://doi.org/10.7771/1541-5015.1046	journal	March 2009
Sentiment Analysis and Opinion Mining Liu, Bing Synthesis Lectures on Human Language Technologies, Vol. 5, Issue 1 https://doi.org/10.2200/S00416ED1V01Y201204HLT016	journal	May 2012
Catalysis by Doped Oxides McFarland, Eric W.; Metiu, Horia Chemical Reviews, Vol. 113, Issue 6 https://doi.org/10.1021/cr300418s	journal	December 2012
A high capacity thiospinel cathode for Mg batteries Sun, Xiaoqi; Bonnick, Patrick; Duffort, Victor Energy & Environmental Science, Vol. 9, Issue 7 https://doi.org/10.1039/C6EE00724D	journal	January 2016
A Computational Investigation of Li ₉ M ₃ (P ₂ O ₇ ) ₃ (PO ₄ ) ₂ (M = V, Mo) as Cathodes for Li Ion Batteries Jain, Anubhav; Hautier, Geoffroy; Moore, Charles Journal of The Electrochemical Society, Vol. 159, Issue 5 https://doi.org/10.1149/2.080205jes	journal	January 2012
Improved Capacity Retention for LiVO ₂ by Cr Substitution Ma, Xiaohua; Hautier, Geoffroy; Jain, Anubhav Journal of The Electrochemical Society, Vol. 160, Issue 2 https://doi.org/10.1149/2.046302jes	journal	December 2012
Multiphase Nanostructure of a Quinary Metal Oxide Electrocatalyst Reveals a New Direction for OER Electrocatalyst Design Haber, Joel A.; Anzenburg, Eitan; Yano, Junko Advanced Energy Materials, Vol. 5, Issue 10 https://doi.org/10.1002/aenm.201402307	journal	February 2015
Data resources for thermophysical properties of metals and alloys, Part 1: Structured data capture from the archival literature Wilthan, Boris; Pfeif, Erik A.; Diky, Vladimir V. Calphad, Vol. 56 https://doi.org/10.1016/j.calphad.2016.12.004	journal	March 2017
Li ₁₀ SnP ₂ S ₁₂ : An Affordable Lithium Superionic Conductor Bron, Philipp; Johansson, Sebastian; Zick, Klaus Journal of the American Chemical Society, Vol. 135, Issue 42 https://doi.org/10.1021/ja407393y	journal	October 2013
Rapid structural mapping of ternary metallic alloy systems using the combinatorial approach and cluster analysis Long, C. J.; Hattrick-Simpers, J.; Murakami, M. Review of Scientific Instruments, Vol. 78, Issue 7 https://doi.org/10.1063/1.2755487	journal	July 2007
High-throughput thermal conductivity measurements of nickel solid solutions and the applicability of the Wiedemann–Franz law Zheng, X.; Cahill, D.; Krasnochtchekov, P. Acta Materialia, Vol. 55, Issue 15 https://doi.org/10.1016/j.actamat.2007.05.037	journal	September 2007
Direct Observation of Reversible Magnesium Ion Intercalation into a Spinel Oxide Host Kim, Chunjoong; Phillips, Patrick J.; Key, Baris Advanced Materials, Vol. 27, Issue 22 https://doi.org/10.1002/adma.201500083	journal	April 2015
The high-throughput highway to computational materials design Curtarolo, Stefano; Hart, Gus L. W.; Nardelli, Marco Buongiorno Nature Materials, Vol. 12, Issue 3 https://doi.org/10.1038/nmat3568	journal	February 2013
Prototype systems for rechargeable magnesium batteries Aurbach, D.; Lu, Z.; Schechter, A. Nature, Vol. 407, Issue 6805, p. 724-727 https://doi.org/10.1038/35037553	journal	October 2000
Prospects and Limits of Energy Storage in Batteries Abraham, K. M. The Journal of Physical Chemistry Letters, Vol. 6, Issue 5 https://doi.org/10.1021/jz5026273	journal	February 2015
Combinatorial solar cell libraries for the investigation of different metal back contacts for TiO ₂ –Cu ₂ O hetero-junction solar cells Rühle, S.; Barad, H. N.; Bouhadana, Y. Phys. Chem. Chem. Phys., Vol. 16, Issue 15 https://doi.org/10.1039/c4cp00532e	journal	January 2014
Thermoelectrics Nolas, George S.; Sharp, Jeffrey; Goldsmid, H. Julian Springer Series in Materials Science https://doi.org/10.1007/978-3-662-04569-5	book	January 2001
Materials science with large-scale data and informatics: Unlocking new opportunities Hill, Joanne; Mulholland, Gregory; Persson, Kristin MRS Bulletin, Vol. 41, Issue 5 https://doi.org/10.1557/mrs.2016.93	journal	May 2016
Model, prediction, and experimental verification of composition and thickness in continuous spread thin film combinatorial libraries grown by pulsed laser deposition Bassim, N. D.; Schenck, P. K.; Otani, M. Review of Scientific Instruments, Vol. 78, Issue 7 https://doi.org/10.1063/1.2755783	journal	July 2007
Contemporary screening approaches to reaction discovery and development Collins, Karl D.; Gensch, Tobias; Glorius, Frank Nature Chemistry, Vol. 6, Issue 10 https://doi.org/10.1038/nchem.2062	journal	September 2014
Particle Size and Support Effects in Electrocatalysis Hayden, Brian E. Accounts of Chemical Research, Vol. 46, Issue 8 https://doi.org/10.1021/ar400001n	journal	April 2013
Materials Data Science: Current Status and Future Outlook Kalidindi, Surya R.; De Graef, Marc Annual Review of Materials Research, Vol. 45, Issue 1 https://doi.org/10.1146/annurev-matsci-070214-020844	journal	July 2015
CuSbSe ₂ photovoltaic devices with 3% efficiency Welch, Adam W.; Baranowski, Lauryn L.; Zawadzki, Pawel Applied Physics Express, Vol. 8, Issue 8 https://doi.org/10.7567/APEX.8.082301	journal	July 2015
Multi-Scanning Droplet Cell Microscopy (multi-SDCM) for truly parallel high throughput electrochemical experimentation Kollender, Jan Philipp; Mardare, Andrei Ionut; Hassel, Achim Walter Electrochimica Acta, Vol. 179 https://doi.org/10.1016/j.electacta.2015.04.103	journal	October 2015
Machine Learning in Materials Science Mueller, Tim; Kusne, Aaron Gilad; Ramprasad, Rampi Reviews in Computational Chemistry, Vol. 29 https://doi.org/10.1002/9781119148739.ch4	book	January 2016
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Current Status of Combinatorial and High-Throughput Methods for Discovering New Materials and Catalysts Woo, Seong Ihl; Kim, Ki Woong; Cho, Hyun Yong QSAR & Combinatorial Science, Vol. 24, Issue 1 https://doi.org/10.1002/qsar.200420061	journal	February 2005
A brief history of LIMS Gibbon, Gerst A. Laboratory Automation & Information Management, Vol. 32, Issue 1 https://doi.org/10.1016/1381-141X(95)00024-K	journal	May 1996
Combinatorial exploration of rare-earth-free permanent magnets: Magnetic and microstructural properties of Fe-Co-W thin films Gao, T. R.; Wu, Y. Q.; Fackler, S. Applied Physics Letters, Vol. 102, Issue 2 https://doi.org/10.1063/1.4775581	journal	January 2013
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A review of high throughput and combinatorial electrochemistry Muster, T. H.; Trinchi, A.; Markley, T. A. Electrochimica Acta, Vol. 56, Issue 27 https://doi.org/10.1016/j.electacta.2011.09.003	journal	November 2011
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Combinatorial screening for new materials in unconstrained composition space with machine learning Meredig, B.; Agrawal, A.; Kirklin, S. Physical Review B, Vol. 89, Issue 9 https://doi.org/10.1103/PhysRevB.89.094104	journal	March 2014

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