de Pablo, Juan J.
[Institute for Molecular Engineering, University of Chicago, Chicago, IL 60615, USA]
Jackson, Nicholas E.
[1Institute for Molecular Engineering, University of Chicago, Chicago, IL 60615, USA]
Webb, Michael A.
[1Institute for Molecular Engineering, University of Chicago, Chicago, IL 60615, USA]
Chen, Long-Qing
[Department of Materials Science and Engineering, The Pennsylvania State University, University Park, PA 16802, USA]
Moore, Joel E.
[Department of Physics, University of California, Berkeley, Berkeley, CA 94720, USA]
Morgan, Dane
[Department of Materials Science and Engineering, University of Wisconsin-Madison, Madison, WI 53706, USA]
Jacobs, Ryan
[Department of Materials Science and Engineering, University of Wisconsin-Madison, Madison, WI 53706, USA]
Pollock, Tresa
[Materials Department and Materials Research Laboratory, University of California, Santa Barbara, CA 93106, USA]
Schlom, Darrell G.
[Department of Materials Science and Engineering, Cornell University, Ithaca, NY 14853, USA]
Toberer, Eric S.
[Department of Physics, Colorado School of Mines, Golden, CO 80401, USA]
Analytis, James
[Department of Physics, University of California, Berkeley, Berkeley, CA 94720, USA]
Dabo, Ismaila
[Department of Materials Science and Engineering, The Pennsylvania State University, University Park, PA 16802, USA]
DeLongchamp, Dean M.
[Materials Measurement Laboratory, National Institute of Standards and Technology, Gaithersburg, MD 20899, USA]
Fiete, Gregory A.
[Department of Physics, University of Texas at Austin, Austin, TX 78712, USA]
Grason, Gregory M.
[Department of Polymer Science and Engineering, University of Massachusetts, Amherst, MA 01003, USA]
Hautier, Geoffroy
[UCL]
Mo, Yifei
[Department of Materials Science and Engineering, University of Maryland, College Park, MD 20742, USA]
Rajan, Krishna
[Department of Materials Design and Innovation, University of Buffalo – The State University of New York, Buffalo, NY 14260-5030, USA;]
Reed, Evan J.
[Department of Materials Science and Engineering, Stanford University, Stanford, CA 94305, USA]
Rodriguez, Efrain
[Department of Chemistry and Biochemistry, University of Maryland, College Park, MD 20742, USA]
Stevanovic, Vladan
[Department of Metallurgical and Materials Engineering, Colorado School of Mines, Golden, CO 80401, USA]
Suntivich, Jin
[Department of Materials Science and Engineering, Cornell University, Ithaca, NY 14853, USA]
Thornton, Katsuyo
[Department of Materials Science and Engineering, University of Michigan, Ann Arbor, MI 48109, USA]
Zhao, Ji-Cheng
[Department of Materials Science and Engineering, The Ohio State University, Columbus, OH 43210, USA]
The Materials Genome Initiative (MGI) advanced a new paradigm for materials discovery and design, namely that the pace of new materials deployment could be accelerated through complementary efforts in theory, computation, and experiment. Along with numerous successes, new challenges are inviting researchers to refocus the efforts and approaches that were originally inspired by the MGI. In May 2017, the National Science Foundation sponsored the workshop “Advancing and Accelerating Materials Innovation Through the Synergistic Interaction among Computation, Experiment, and Theory: Opening New Frontiers” to review accomplishments that emerged from investments in science and infrastructure under the MGI, identify scientific opportunities in this new environment, examine how to effectively utilize new materials innovation infrastructure, and discuss challenges in achieving accelerated materials research through the seamless integration of experiment, computation, and theory. This article summarizes key findings from the workshop and provides perspectives that aim to guide the direction of future materials research and its translation into societal impacts.
de Pablo Juan J., Jones Barbara, Kovacs Cora Lind, Ozolins Vidvuds, Ramirez Arthur P., The Materials Genome Initiative, the interplay of experiment, theory and computation, 10.1016/j.cossms.2014.02.003
Khaira Gurdaman, Doxastakis Manolis, Bowen Alec, Ren Jiaxing, Suh Hyo Seon, Segal-Peretz Tamar, Chen Xuanxuan, Zhou Chun, Hannon Adam F., Ferrier Nicola J., Vishwanath Venkatram, Sunday Daniel F., Gronheid Roel, Kline R. Joseph, de Pablo Juan J., Nealey Paul F., Derivation of Multiple Covarying Material and Process Parameters Using Physics-Based Modeling of X-ray Data, 10.1021/acs.macromol.7b00691
Kim T. H., Puggioni D., Yuan Y., Xie L., Zhou H., Campbell N., Ryan P. J., Choi Y., Kim J.-W., Patzner J. R., Ryu S., Podkaminer J. P., Irwin J., Ma Y., Fennie C. J., Rzchowski M. S., Pan X. Q., Gopalan V., Rondinelli J. M., Eom C. B., Polar metals by geometric design, 10.1038/nature17628
Gómez-Bombarelli Rafael, Aguilera-Iparraguirre Jorge, Hirzel Timothy D., Duvenaud David, Maclaurin Dougal, Blood-Forsythe Martin A., Chae Hyun Sik, Einzinger Markus, Ha Dong-Gwang, Wu Tony, Markopoulos Georgios, Jeon Soonok, Kang Hosuk, Miyazaki Hiroshi, Numata Masaki, Kim Sunghan, Huang Wenliang, Hong Seong Ik, Baldo Marc, Adams Ryan P., Aspuru-Guzik Alán, Design of efficient molecular organic light-emitting diodes by a high-throughput virtual screening and experimental approach, 10.1038/nmat4717
Cubuk E. D., Schoenholz S. S., Rieser J. M., Malone B. D., Rottler J., Durian D. J., Kaxiras E., Liu A. J., Identifying Structural Flow Defects in Disordered Solids Using Machine-Learning Methods, 10.1103/physrevlett.114.108001
Schoenholz S. S., Cubuk E. D., Sussman D. M., Kaxiras E., Liu A. J., A structural approach to relaxation in glassy liquids, 10.1038/nphys3644
Mauro John C., Tandia Adama, Vargheese K. Deenamma, Mauro Yihong Z., Smedskjaer Morten M., Accelerating the Design of Functional Glasses through Modeling, 10.1021/acs.chemmater.6b01054
Wilmer Christopher E., Leaf Michael, Lee Chang Yeon, Farha Omar K., Hauser Brad G., Hupp Joseph T., Snurr Randall Q., Large-scale screening of hypothetical metal–organic frameworks, 10.1038/nchem.1192
Nazarian Dalar, Camp Jeffrey S., Chung Yongchul G., Snurr Randall Q., Sholl David S., Large-Scale Refinement of Metal−Organic Framework Structures Using Density Functional Theory, 10.1021/acs.chemmater.6b04226
Richards William D., Wang Yan, Miara Lincoln J., Kim Jae Chul, Ceder Gerbrand, Design of Li1+2xZn1−xPS4, a new lithium ion conductor, 10.1039/c6ee02094a
Yan Qimin, Yu Jie, Suram Santosh K., Zhou Lan, Shinde Aniketa, Newhouse Paul F., Chen Wei, Li Guo, Persson Kristin A., Gregoire John M., Neaton Jeffrey B., Solar fuels photoanode materials discovery by integrating high-throughput theory and experiment, 10.1073/pnas.1619940114
Roy Anindya, Bennett Joseph W., Rabe Karin M., Vanderbilt David, Half-Heusler Semiconductors as Piezoelectrics, 10.1103/physrevlett.109.037602
Gaultois Michael W., Sparks Taylor D., Borg Christopher K. H., Seshadri Ram, Bonificio William D., Clarke David R., Data-Driven Review of Thermoelectric Materials: Performance and Resource Considerations, 10.1021/cm400893e
Lyubimov Ivan, Antony Lucas, Walters Diane M., Rodney David, Ediger M. D., de Pablo Juan J., Orientational anisotropy in simulated vapor-deposited molecular glasses, 10.1063/1.4928523
Dalal Shakeel S., Walters Diane M., Lyubimov Ivan, de Pablo Juan J., Ediger M. D., Tunable molecular orientation and elevated thermal stability of vapor-deposited organic semiconductors, 10.1073/pnas.1421042112
Reid Daniel R., Lyubimov Ivan, Ediger M. D., de Pablo Juan J., Age and structure of a model vapour-deposited glass, 10.1038/ncomms13062
Beller, D. A. et al. Focal conic flower textures at curved interfaces. Phys. Rev. X 3, 041026 (2014).
Serra Francesca, Gharbi Mohamed A., Luo Yimin, Liu Iris B., Bade Nathan D., Kamien Randall D., Yang Shu, Stebe Kathleen J., Curvature-Driven, One-Step Assembly of Reconfigurable Smectic Liquid Crystal “Compound Eye” Lenses, 10.1002/adom.201500153
Ji Shengxiang, Nagpal Umang, Liao Wen, Liu Chi-Chun, de Pablo Juan J., Nealey Paul F., Three-dimensional Directed Assembly of Block Copolymers together with Two-dimensional Square and Rectangular Nanolithography, 10.1002/adma.201101813
Chanpuriya Siddharth, Kim Kyungtae, Zhang Jingwen, Lee Sangwoo, Arora Akash, Dorfman Kevin D., Delaney Kris T., Fredrickson Glenn H., Bates Frank S., Cornucopia of Nanoscale Ordered Phases in Sphere-Forming Tetrablock Terpolymers, 10.1021/acsnano.6b00495
Arora Akash, Qin Jian, Morse David C., Delaney Kris T., Fredrickson Glenn H., Bates Frank S., Dorfman Kevin D., Broadly Accessible Self-Consistent Field Theory for Block Polymer Materials Discovery, 10.1021/acs.macromol.6b00107
Webb Michael A., Jung Yukyung, Pesko Danielle M., Savoie Brett M., Yamamoto Umi, Coates Geoffrey W., Balsara Nitash P., Wang Zhen-Gang, Miller Thomas F., Systematic Computational and Experimental Investigation of Lithium-Ion Transport Mechanisms in Polyester-Based Polymer Electrolytes, 10.1021/acscentsci.5b00195
Pesko Danielle M., Webb Michael A., Jung Yukyung, Zheng Qi, Miller Thomas F., Coates Geoffrey W., Balsara Nitash P., Universal Relationship between Conductivity and Solvation-Site Connectivity in Ether-Based Polymer Electrolytes, 10.1021/acs.macromol.6b00851
Miller Thomas F., Wang Zhen-Gang, Coates Geoffrey W., Balsara Nitash P., Designing Polymer Electrolytes for Safe and High Capacity Rechargeable Lithium Batteries, 10.1021/acs.accounts.6b00568
Webb Michael A., Savoie Brett M., Wang Zhen-Gang, Miller III Thomas F., Chemically Specific Dynamic Bond Percolation Model for Ion Transport in Polymer Electrolytes, 10.1021/acs.macromol.5b01437
Savoie Brett M., Webb Michael A., Miller Thomas F., Enhancing Cation Diffusion and Suppressing Anion Diffusion via Lewis-Acidic Polymer Electrolytes, 10.1021/acs.jpclett.6b02662
Zheng Qi, Pesko Danielle M., Savoie Brett M., Timachova Ksenia, Hasan Alexandra L., Smith Mackensie C., Miller Thomas F., Coates Geoffrey W., Balsara Nitash P., Optimizing Ion Transport in Polyether-Based Electrolytes for Lithium Batteries, 10.1021/acs.macromol.7b02706
Savoie B. M., Kohlstedt K. L., Jackson N. E., Chen L. X., Olvera de la Cruz M., Schatz G. C., Marks T. J., Ratner M. A., Mesoscale molecular network formation in amorphous organic materials, 10.1073/pnas.1409514111
Jackson Nicholas E., Savoie Brett M., Chen Lin X., Ratner Mark A., A Simple Index for Characterizing Charge Transport in Molecular Materials, 10.1021/acs.jpclett.5b00135
Jackson Nicholas E., Chen Lin X., Ratner Mark A., Charge transport network dynamics in molecular aggregates, 10.1073/pnas.1601915113
Joo Yongho, Agarkar Varad, Sung Seung Hyun, Savoie Brett M., Boudouris Bryan W., A nonconjugated radical polymer glass with high electrical conductivity, 10.1126/science.aao7287
Srivastava Samanvaya, Andreev Marat, Levi Adam E., Goldfeld David J., Mao Jun, Heller William T., Prabhu Vivek M., de Pablo Juan J., Tirrell Matthew V., Gel phase formation in dilute triblock copolyelectrolyte complexes, 10.1038/ncomms14131
Li Lu, Srivastava Samanvaya, Andreev Marat, Marciel Amanda B., de Pablo Juan J., Tirrell Matthew V., Phase Behavior and Salt Partitioning in Polyelectrolyte Complex Coacervates, 10.1021/acs.macromol.8b00238
Yu Jing, Jackson Nicholas E., Xu Xin, Brettmann Blair K., Ruths Marina, de Pablo Juan J., Tirrell Matthew, Multivalent ions induce lateral structural inhomogeneities in polyelectrolyte brushes, 10.1126/sciadv.aao1497
Coley Connor W., Barzilay Regina, Jaakkola Tommi S., Green William H., Jensen Klavs F., Prediction of Organic Reaction Outcomes Using Machine Learning, 10.1021/acscentsci.7b00064
Segler Marwin H. S., Waller Mark P., Modelling Chemical Reasoning to Predict and Invent Reactions, 10.1002/chem.201604556
Cao Bing, Adutwum Lawrence A., Oliynyk Anton O., Luber Erik J., Olsen Brian C., Mar Arthur, Buriak Jillian M., How To Optimize Materials and Devices via Design of Experiments and Machine Learning: Demonstration Using Organic Photovoltaics, 10.1021/acsnano.8b04726
Chavent Matthieu, Duncan Anna L, Sansom Mark SP, Molecular dynamics simulations of membrane proteins and their interactions: from nanoscale to mesoscale, 10.1016/j.sbi.2016.06.007
Someya Takao, Bao Zhenan, Malliaras George G., The rise of plastic bioelectronics, 10.1038/nature21004
Wojtecki Rudy J., Meador Michael A., Rowan Stuart J., Using the dynamic bond to access macroscopically responsive structurally dynamic polymers, 10.1038/nmat2891
Laycock Bronwyn, Halley Peter, Pratt Steven, Werker Alan, Lant Paul, The chemomechanical properties of microbial polyhydroxyalkanoates, 10.1016/j.progpolymsci.2012.06.003
Denissen Wim, Winne Johan M., Du Prez Filip E., Vitrimers: permanent organic networks with glass-like fluidity, 10.1039/c5sc02223a
Zhu Jian-Bo, Watson Eli M., Tang Jing, Chen Eugene Y.-X., A synthetic polymer system with repeatable chemical recyclability, 10.1126/science.aar5498
Dietz H., Douglas S. M., Shih W. M., Folding DNA into Twisted and Curved Nanoscale Shapes, 10.1126/science.1174251
Savoie Brett M., Jackson Nicholas E., Chen Lin X., Marks Tobin J., Ratner Mark A., Mesoscopic Features of Charge Generation in Organic Semiconductors, 10.1021/ar5000852
Pan Keyao, Kim Do-Nyun, Zhang Fei, Adendorff Matthew R., Yan Hao, Bathe Mark, Lattice-free prediction of three-dimensional structure of programmed DNA assemblies, 10.1038/ncomms6578
Silverberg J. L., Evans A. A., McLeod L., Hayward R. C., Hull T., Santangelo C. D., Cohen I., Using origami design principles to fold reprogrammable mechanical metamaterials, 10.1126/science.1252876
Miskin Marc Z., Dorsey Kyle J., Bircan Baris, Han Yimo, Muller David A., McEuen Paul L., Cohen Itai, Graphene-based bimorphs for micron-sized, autonomous origami machines, 10.1073/pnas.1712889115
Rogers W. B., Manoharan V. N., Programming colloidal phase transitions with DNA strand displacement, 10.1126/science.1259762
Wang Qiming, Jackson Julie A., Ge Qi, Hopkins Jonathan B., Spadaccini Christopher M., Fang Nicholas X., Lightweight Mechanical Metamaterials with Tunable Negative Thermal Expansion, 10.1103/physrevlett.117.175901
Duoss Eric B., Weisgraber Todd H., Hearon Keith, Zhu Cheng, Small Ward, Metz Thomas R., Vericella John J., Barth Holly D., Kuntz Joshua D., Maxwell Robert S., Spadaccini Christopher M., Wilson Thomas S., Three-Dimensional Printing of Elastomeric, Cellular Architectures with Negative Stiffness, 10.1002/adfm.201400451
Sydney Gladman A., Matsumoto Elisabetta A., Nuzzo Ralph G., Mahadevan L., Lewis Jennifer A., Biomimetic 4D printing, 10.1038/nmat4544
Kim Jungwook, Hanna James A., Byun Myunghwan, Santangelo Christian D., Hayward Ryan C., Designing Responsive Buckled Surfaces by Halftone Gel Lithography, 10.1126/science.1215309
Blees Melina K., Barnard Arthur W., Rose Peter A., Roberts Samantha P., McGill Kathryn L., Huang Pinshane Y., Ruyack Alexander R., Kevek Joshua W., Kobrin Bryce, Muller David A., McEuen Paul L., Graphene kirigami, 10.1038/nature14588
Yllanes David, Bhabesh Sourav S., Nelson David R., Bowick Mark J., Thermal crumpling of perforated two-dimensional sheets, 10.1038/s41467-017-01551-y
Bukusoglu Emre, Pal Santanu Kumar, de Pablo Juan J., Abbott Nicholas L., Colloid-in-liquid crystal gels formed via spinodal decomposition, 10.1039/c3sm51877a
Ackerman, P. J. & Smalyukh, I. I. Diversity of knot solitons in liquid crystals manifested by linking of preimages in Torons and Hopfions. Phys. Rev. X 7, 11006 (2017).
Tran Lisa, Lavrentovich Maxim O., Beller Daniel A., Li Ningwei, Stebe Kathleen J., Kamien Randall D., Lassoing saddle splay and the geometrical control of topological defects, 10.1073/pnas.1602703113
DeCamp Stephen J., Redner Gabriel S., Baskaran Aparna, Hagan Michael F., Dogic Zvonimir, Orientational order of motile defects in active nematics, 10.1038/nmat4387
Peng Chenhui, Turiv Taras, Guo Yubing, Wei Qi-Huo, Lavrentovich Oleg D., Command of active matter by topological defects and patterns, 10.1126/science.aah6936
Driscoll Michelle, Delmotte Blaise, Youssef Mena, Sacanna Stefano, Donev Aleksandar, Chaikin Paul, Unstable fronts and motile structures formed by microrollers, 10.1038/nphys3970
Wu Kun-Ta, Hishamunda Jean Bernard, Chen Daniel T. N., DeCamp Stephen J., Chang Ya-Wen, Fernández-Nieves Alberto, Fraden Seth, Dogic Zvonimir, Transition from turbulent to coherent flows in confined three-dimensional active fluids, 10.1126/science.aal1979
Chen Bryan Gin-ge, Liu Bin, Evans Arthur A., Paulose Jayson, Cohen Itai, Vitelli Vincenzo, Santangelo C. D., Topological Mechanics of Origami and Kirigami, 10.1103/physrevlett.116.135501
Nash Lisa M., Kleckner Dustin, Read Alismari, Vitelli Vincenzo, Turner Ari M., Irvine William T. M., Topological mechanics of gyroscopic metamaterials, 10.1073/pnas.1507413112
Raney Jordan R., Nadkarni Neel, Daraio Chiara, Kochmann Dennis M., Lewis Jennifer A., Bertoldi Katia, Stable propagation of mechanical signals in soft media using stored elastic energy, 10.1073/pnas.1604838113
Zeravcic Zorana, Manoharan Vinothan N., Brenner Michael P., Size limits of self-assembled colloidal structures made using specific interactions, 10.1073/pnas.1411765111
Grason Gregory M., Perspective: Geometrically frustrated assemblies, 10.1063/1.4962629
Jacobs William M., Frenkel Daan, Self-Assembly of Structures with Addressable Complexity, 10.1021/jacs.5b11918
Litschel Thomas, Norton Michael M., Tserunyan Vardges, Fraden Seth, Engineering reaction–diffusion networks with properties of neural tissue, 10.1039/c7lc01187c
Epstein Irving R., Vanag Vladimir K., Balazs Anna C., Kuksenok Olga, Dayal Pratyush, Bhattacharya Amitabh, Chemical Oscillators in Structured Media, 10.1021/ar200251j
Tompkins Nathan, Cambria Matthew Carl, Wang Adam L., Heymann Michael, Fraden Seth, Creation and perturbation of planar networks of chemical oscillators, 10.1063/1.4922056
Benedek Nicole A., Fennie Craig J., Why Are There So Few Perovskite Ferroelectrics?, 10.1021/jp402046t
Disa Ankit S., Kumah Divine P., Malashevich Andrei, Chen Hanghui, Arena Dario A., Specht Eliot D., Ismail-Beigi Sohrab, Walker F. J., Ahn Charles H., Orbital Engineering in Symmetry-Breaking Polar Heterostructures, 10.1103/physrevlett.114.026801
Xu Yang, Miotkowski Ireneusz, Liu Chang, Tian Jifa, Nam Hyoungdo, Alidoust Nasser, Hu Jiuning, Shih Chih-Kang, Hasan M. Zahid, Chen Yong P., Observation of topological surface state quantum Hall effect in an intrinsic three-dimensional topological insulator, 10.1038/nphys3140
Yeats Andrew L., Pan Yu, Richardella Anthony, Mintun Peter J., Samarth Nitin, Awschalom David D., Persistent optical gating of a topological insulator, 10.1126/sciadv.1500640
Benedek Nicole A., Fennie Craig J., Hybrid Improper Ferroelectricity: A Mechanism for Controllable Polarization-Magnetization Coupling, 10.1103/physrevlett.106.107204
Bocarsly Joshua D., Levin Emily E., Garcia Christina A. C., Schwennicke Kai, Wilson Stephen D., Seshadri Ram, A Simple Computational Proxy for Screening Magnetocaloric Compounds, 10.1021/acs.chemmater.6b04729
Schaak Raymond E., Mallouk Thomas E., Perovskites by Design: A Toolbox of Solid-State Reactions, 10.1021/cm010689m
Kim Myung-Gil, Kanatzidis Mercouri G., Facchetti Antonio, Marks Tobin J., Low-temperature fabrication of high-performance metal oxide thin-film electronics via combustion processing, 10.1038/nmat3011
Llordés Anna, Wang Yang, Fernandez-Martinez Alejandro, Xiao Penghao, Lee Tom, Poulain Agnieszka, Zandi Omid, Saez Cabezas Camila A., Henkelman Graeme, Milliron Delia J., Linear topology in amorphous metal oxide electrochromic networks obtained via low-temperature solution processing, 10.1038/nmat4734
Schlom Darrell G., Chen Long-Qing, Fennie Craig J., Gopalan Venkatraman, Muller David A., Pan Xiaoqing, Ramesh Ramamoorthy, Uecker Reinhard, Elastic strain engineering of ferroic oxides, 10.1557/mrs.2014.1
Badding J. V., HIGH-PRESSURE SYNTHESIS, CHARACTERIZATION, AND TUNING OF SOLID STATE MATERIALS, 10.1146/annurev.matsci.28.1.631
Bayindir Mehmet, Sorin Fabien, Abouraddy Ayman F., Viens Jeff, Hart Shandon D., Joannopoulos John D., Fink Yoel, Metal–insulator–semiconductor optoelectronic fibres, 10.1038/nature02937
Greeley Jeff, Mavrikakis Manos, Alloy catalysts designed from first principles, 10.1038/nmat1223
Curtarolo Stefano, Hart Gus L. W., Nardelli Marco Buongiorno, Mingo Natalio, Sanvito Stefano, Levy Ohad, The high-throughput highway to computational materials design, 10.1038/nmat3568
Pizzi Giovanni, Cepellotti Andrea, Sabatini Riccardo, Marzari Nicola, Kozinsky Boris, AiiDA: automated interactive infrastructure and database for computational science, 10.1016/j.commatsci.2015.09.013
Lin Li-Chiang, Berger Adam H., Martin Richard L., Kim Jihan, Swisher Joseph A., Jariwala Kuldeep, Rycroft Chris H., Bhown Abhoyjit S., Deem Michael W., Haranczyk Maciej, Smit Berend, In silico screening of carbon-capture materials, 10.1038/nmat3336
Greeley Jeff, Jaramillo Thomas F., Bonde Jacob, Chorkendorff Ib, Nørskov Jens K., Computational high-throughput screening of electrocatalytic materials for hydrogen evolution, 10.1038/nmat1752
Kalinin Sergei V., Sumpter Bobby G., Archibald Richard K., Big–deep–smart data in imaging for guiding materials design, 10.1038/nmat4395
Montoya Joseph H., Seitz Linsey C., Chakthranont Pongkarn, Vojvodic Aleksandra, Jaramillo Thomas F., Nørskov Jens K., Materials for solar fuels and chemicals, 10.1038/nmat4778
Pham Tuan Anh, Ping Yuan, Galli Giulia, Modelling heterogeneous interfaces for solar water splitting, 10.1038/nmat4803
Jain Anubhav, Shin Yongwoo, Persson Kristin A., Computational predictions of energy materials using density functional theory, 10.1038/natrevmats.2015.4
Lejaeghere K., Bihlmayer G., Bjorkman T., Blaha P., Blugel S., Blum V., Caliste D., Castelli I. E., Clark S. J., Dal Corso A., de Gironcoli S., Deutsch T., Dewhurst J. K., Di Marco I., Draxl C., Du ak M., Eriksson O., Flores-Livas J. A., Garrity K. F., Genovese L., Giannozzi P., Giantomassi M., Goedecker S., Gonze X., Granas O., Gross E. K. U., Gulans A., Gygi F., Hamann D. R., Hasnip P. J., Holzwarth N. A. W., Iu an D., Jochym D. B., Jollet F., Jones D., Kresse G., Koepernik K., Kucukbenli E., Kvashnin Y. O., Locht I. L. M., Lubeck S., Marsman M., Marzari N., Nitzsche U., Nordstrom L., Ozaki T., Paulatto L., Pickard C. J., Poelmans W., Probert M. I. J., Refson K., Richter M., Rignanese G.-M., Saha S., Scheffler M., Schlipf M., Schwarz K., Sharma S., Tavazza F., Thunstrom P., Tkatchenko A., Torrent M., Vanderbilt D., van Setten M. J., Van Speybroeck V., Wills J. M., Yates J. R., Zhang G.-X., Cottenier S., Reproducibility in density functional theory calculations of solids, 10.1126/science.aad3000
Marzari Nicola, The frontiers and the challenges : Materials modelling, 10.1038/nmat4613
Meredig Bryce, Wolverton C., A hybrid computational–experimental approach for automated crystal structure solution, 10.1038/nmat3490
Mundy Julia A., Brooks Charles M., Holtz Megan E., Moyer Jarrett A., Das Hena, Rébola Alejandro F., Heron John T., Clarkson James D., Disseler Steven M., Liu Zhiqi, Farhan Alan, Held Rainer, Hovden Robert, Padgett Elliot, Mao Qingyun, Paik Hanjong, Misra Rajiv, Kourkoutis Lena F., Arenholz Elke, Scholl Andreas, Borchers Julie A., Ratcliff William D., Ramesh Ramamoorthy, Fennie Craig J., Schiffer Peter, Muller David A., Schlom Darrell G., Atomically engineered ferroic layers yield a room-temperature magnetoelectric multiferroic, 10.1038/nature19343
Yadav A. K., Nelson C. T., Hsu S. L., Hong Z., Clarkson J. D., Schlepütz C. M., Damodaran A. R., Shafer P., Arenholz E., Dedon L. R., Chen D., Vishwanath A., Minor A. M., Chen L. Q., Scott J. F., Martin L. W., Ramesh R., Observation of polar vortices in oxide superlattices, 10.1038/nature16463
Yang Qian, Sing-Long Carlos A., Reed Evan J., Learning reduced kinetic Monte Carlo models of complex chemistry from molecular dynamics, 10.1039/c7sc01052d
Ramprasad Rampi, Batra Rohit, Pilania Ghanshyam, Mannodi-Kanakkithodi Arun, Kim Chiho, Machine learning in materials informatics: recent applications and prospects, 10.1038/s41524-017-0056-5
Sholl David S., Lively Ryan P., Seven chemical separations to change the world, 10.1038/532435a
Koros William J., Kratochvil Adam, Shu Shu, Husain Shabbir, Energy and Environmental Issues and Impacts of Membranes in Industry, Membrane Operations ISBN:9783527626779 p.139-165, 10.1002/9783527626779.ch7
Alsbaiee Alaaeddin, Smith Brian J., Xiao Leilei, Ling Yuhan, Helbling Damian E., Dichtel William R., Rapid removal of organic micropollutants from water by a porous β-cyclodextrin polymer, 10.1038/nature16185
Seo Pill Won, Bhadra Biswa Nath, Ahmed Imteaz, Khan Nazmul Abedin, Jhung Sung Hwa, Adsorptive Removal of Pharmaceuticals and Personal Care Products from Water with Functionalized Metal-organic Frameworks: Remarkable Adsorbents with Hydrogen-bonding Abilities, 10.1038/srep34462
Koros William J., Zhang Chen, Materials for next-generation molecularly selective synthetic membranes, 10.1038/nmat4805
Xu Liren, Rungta Meha, Brayden Mark K., Martinez Marcos V., Stears Brien A., Barbay Gregory A., Koros William J., Olefins-selective asymmetric carbon molecular sieve hollow fiber membranes for hybrid membrane-distillation processes for olefin/paraffin separations, 10.1016/j.memsci.2012.08.028
Lawler Keith V., Hulvey Zeric, Forster Paul M., Nanoporous metal formates for krypton/xenon separation, 10.1039/c3cc44374d
Lawler Keith V., Hulvey Zeric, Forster Paul M., On the importance of a precise crystal structure for simulating gas adsorption in nanoporous materials, 10.1039/c5cp01544h
Rui Zebao, James Joshua B., Kasik Alexandra, Lin Y. S., Metal-organic framework membrane process for high purity CO2production, 10.1002/aic.15367
Shah Mansi S., Tsapatsis Michael, Siepmann J. Ilja, Identifying Optimal Zeolitic Sorbents for Sweetening of Highly Sour Natural Gas, 10.1002/anie.201600612
Raccuglia Paul, Elbert Katherine C., Adler Philip D. F., Falk Casey, Wenny Malia B., Mollo Aurelio, Zeller Matthias, Friedler Sorelle A., Schrier Joshua, Norquist Alexander J., Machine-learning-assisted materials discovery using failed experiments, 10.1038/nature17439
Li Zhenwei, Kermode James R., De Vita Alessandro, Molecular Dynamics with On-the-Fly Machine Learning of Quantum-Mechanical Forces, 10.1103/physrevlett.114.096405
Botu V., Batra R., Chapman J., Ramprasad R., Machine Learning Force Fields: Construction, Validation, and Outlook, 10.1021/acs.jpcc.6b10908
Fernandez Michael, Woo Tom K., Wilmer Christopher E., Snurr Randall Q., Large-Scale Quantitative Structure–Property Relationship (QSPR) Analysis of Methane Storage in Metal–Organic Frameworks, 10.1021/jp4006422
Jain Anubhav, Ong Shyue Ping, Hautier Geoffroy, Chen Wei, Richards William Davidson, Dacek Stephen, Cholia Shreyas, Gunter Dan, Skinner David, Ceder Gerbrand, Persson Kristin A., Commentary: The Materials Project: A materials genome approach to accelerating materials innovation, 10.1063/1.4812323
Green M. 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., Fulfilling the promise of the materials genome initiative with high-throughput experimental methodologies, 10.1063/1.4977487
Hernandez-Fernandez Patricia, Masini Federico, McCarthy David N., Strebel Christian E., Friebel Daniel, Deiana Davide, Malacrida Paolo, Nierhoff Anders, Bodin Anders, Wise Anna M., Nielsen Jane H., Hansen Thomas W., Nilsson Anders, Stephens Ifan E. L., Chorkendorff Ib, Mass-selected nanoparticles of Pt
x
Y as model catalysts for oxygen electroreduction, 10.1038/nchem.2001
Castelli Ivano E., Hüser Falco, Pandey Mohnish, Li Hong, Thygesen Kristian S., Seger Brian, Jain Anubhav, Persson Kristin A., Ceder Gerbrand, Jacobsen Karsten W., New Light-Harvesting Materials Using Accurate and Efficient Bandgap Calculations, 10.1002/aenm.201400915
Ong Shyue Ping, Mo Yifei, Richards William Davidson, Miara Lincoln, Lee Hyo Sug, Ceder Gerbrand, Phase stability, electrochemical stability and ionic conductivity of the Li10±1MP2X12(M = Ge, Si, Sn, Al or P, and X = O, S or Se) family of superionic conductors, 10.1039/c2ee23355j
Kato Yuki, Hori Satoshi, Saito Toshiya, Suzuki Kota, Hirayama Masaaki, Mitsui Akio, Yonemura Masao, Iba Hideki, Kanno Ryoji, High-power all-solid-state batteries using sulfide superionic conductors, 10.1038/nenergy.2016.30
Samsonidze Georgy, Kozinsky Boris, Accelerated Screening of Thermoelectric Materials by First-Principles Computations of Electron-Phonon Scattering, 10.1002/aenm.201800246
Vojvodic Aleksandra, Nørskov Jens K., New design paradigm for heterogeneous catalysts, 10.1093/nsr/nwv023
Seh Zhi Wei, Kibsgaard Jakob, Dickens Colin F., Chorkendorff Ib, Nørskov Jens K., Jaramillo Thomas F., Combining theory and experiment in electrocatalysis: Insights into materials design, 10.1126/science.aad4998
Rajput Nav Nidhi, Seguin Trevor J., Wood Brandon M., Qu Xiaohui, Persson Kristin A., Elucidating Solvation Structures for Rational Design of Multivalent Electrolytes—A Review, 10.1007/s41061-018-0195-2
Council, N. R. Integrated Computational Materials Engineering: A Transformational Discipline for Improved Competitiveness and National Security (The National Academies Press, Washington, DC, 2008).
Kattner U. R., Campbell C. E., Invited review: Modelling of thermodynamics and diffusion in multicomponent systems, 10.1179/174328408x372001
Pollock Tresa M., Alloy design for aircraft engines, 10.1038/nmat4709
United States National Research Council. Application of Lightweighting Technology to Military Vehicles, Vessels, and Aircraft (National Academies Press, Washington, DC, 2012).
Reed R.C., Tao T., Warnken N., Alloys-By-Design: Application to nickel-based single crystal superalloys, 10.1016/j.actamat.2009.08.018
Van der Ven A., Ceder G., Asta M., Tepesch P. D., First-principles theory of ionic diffusion with nondilute carriers, 10.1103/physrevb.64.184307
Kolmogorov A. N., Shah S., Margine E. R., Bialon A. F., Hammerschmidt T., Drautz R., New Superconducting and Semiconducting Fe-B Compounds Predicted with anAb InitioEvolutionary Search, 10.1103/physrevlett.105.217003
Yang Kesong, Setyawan Wahyu, Wang Shidong, Buongiorno Nardelli Marco, Curtarolo Stefano, A search model for topological insulators with high-throughput robustness descriptors, 10.1038/nmat3332
Gautier Romain, Zhang Xiuwen, Hu Linhua, Yu Liping, Lin Yuyuan, Sunde Tor O. L., Chon Danbee, Poeppelmeier Kenneth R., Zunger Alex, Prediction and accelerated laboratory discovery of previously unknown 18-electron ABX compounds, 10.1038/nchem.2207
Tumbleston J. R., Shirvanyants D., Ermoshkin N., Janusziewicz R., Johnson A. R., Kelly D., Chen K., Pinschmidt R., Rolland J. P., Ermoshkin A., Samulski E. T., DeSimone J. M., Continuous liquid interface production of 3D objects, 10.1126/science.aaa2397
Valentine Alexander D., Busbee Travis A., Boley John William, Raney Jordan R., Chortos Alex, Kotikian Arda, Berrigan John Daniel, Durstock Michael F., Lewis Jennifer A., Hybrid 3D Printing of Soft Electronics, 10.1002/adma.201703817
An Jia, Teoh Joanne Ee Mei, Suntornnond Ratima, Chua Chee Kai, Design and 3D Printing of Scaffolds and Tissues, 10.15302/j-eng-2015061
Do Anh-Vu, Khorsand Behnoush, Geary Sean M., Salem Aliasger K., 3D Printing of Scaffolds for Tissue Regeneration Applications, 10.1002/adhm.201500168
Bergmann Christian, Lindner Markus, Zhang Wen, Koczur Karolina, Kirsten Armin, Telle Rainer, Fischer Horst, 3D printing of bone substitute implants using calcium phosphate and bioactive glasses, 10.1016/j.jeurceramsoc.2010.04.037
Groeber Michael A, Jackson Michael A, DREAM.3D: A Digital Representation Environment for the Analysis of Microstructure in 3D, 10.1186/2193-9772-3-5
Becker Chandler A., Tavazza Francesca, Trautt Zachary T., Buarque de Macedo Robert A., Considerations for choosing and using force fields and interatomic potentials in materials science and engineering, 10.1016/j.cossms.2013.10.001
Schaedler T. A., Jacobsen A. J., Torrents A., Sorensen A. E., Lian J., Greer J. R., Valdevit L., Carter W. B., Ultralight Metallic Microlattices, 10.1126/science.1211649
Bauer J., Hengsbach S., Tesari I., Schwaiger R., Kraft O., High-strength cellular ceramic composites with 3D microarchitecture, 10.1073/pnas.1315147111
Robertson Ian M., Schuh Christopher A., Vetrano John S., Browning Nigel D., Field David P., Jensen Dorte Juul, Miller Michael K., Baker Ian, Dunand David C., Dunin-Borkowski Rafal, Kabius Bernd, Kelly Tom, Lozano-Perez Sergio, Misra Amit, Rohrer Gregory S., Rollett Anthony D., Taheri Mitra L., Thompson Greg B., Uchic Michael, Wang Xun-Li, Was Gary, Towards an integrated materials characterization toolbox, 10.1557/jmr.2011.41
Griffith M. L., Ensz M. T., Puskar J. D., Robino C. V., Brooks J. A., Philliber J. A., Smugeresky J. E., Hofmeister W. H., Understanding the Microstructure and Properties of Components Fabricated by Laser Engineered Net Shaping (LENS), 10.1557/proc-625-9
Beuth, J. et al. Process mapping for qaulification across multiple direct metal additive manufacturing processes. Proc. SFF Symp. Austin, TX 1, 655–665 (2013).
Vasinonta Aditad, Beuth Jack L., Griffith Michelle, Process Maps for Predicting Residual Stress and Melt Pool Size in the Laser-Based Fabrication of Thin-Walled Structures, 10.1115/1.2335852
Yang Jia, Wang Fude, 3D finite element temperature field modelling for direct laser fabrication, 10.1007/s00170-008-1785-x
Zäh M. F., Lutzmann S., Modelling and simulation of electron beam melting, 10.1007/s11740-009-0197-6
Sames W. J., List F. A., Pannala S., Dehoff R. R., Babu S. S., The metallurgy and processing science of metal additive manufacturing, 10.1080/09506608.2015.1116649
Körner C., Additive manufacturing of metallic components by selective electron beam melting — a review, 10.1080/09506608.2016.1176289
Wang, L., Felicelli, S. D. & Craig, J. E. Thermal modeling and experimental validation in the LENS(TM) process. in Proc. Solid Freeform Fabrication Symposium. 100–111 (2007).
Baufeld Bernd, Biest Omer Van der, Gault Rosemary, Additive manufacturing of Ti–6Al–4V components by shaped metal deposition: Microstructure and mechanical properties, 10.1016/j.matdes.2009.11.032
Wong Kaufui V., Hernandez Aldo, A Review of Additive Manufacturing, 10.5402/2012/208760
Brandl Erhard, Schoberth Achim, Leyens Christoph, Morphology, microstructure, and hardness of titanium (Ti-6Al-4V) blocks deposited by wire-feed additive layer manufacturing (ALM), 10.1016/j.msea.2011.10.095
Murr Lawrence E., Gaytan Sara M., Ramirez Diana A., Martinez Edwin, Hernandez Jennifer, Amato Krista N., Shindo Patrick W., Medina Francisco R., Wicker Ryan B., Metal Fabrication by Additive Manufacturing Using Laser and Electron Beam Melting Technologies, 10.1016/s1005-0302(12)60016-4
Murr L.E., Gaytan S.M., Ceylan A., Martinez E., Martinez J.L., Hernandez D.H., Machado B.I., Ramirez D.A., Medina F., Collins S., Characterization of titanium aluminide alloy components fabricated by additive manufacturing using electron beam melting, 10.1016/j.actamat.2009.11.032
Martina F., Mehnen J., Williams S.W., Colegrove P., Wang F., Investigation of the benefits of plasma deposition for the additive layer manufacture of Ti–6Al–4V, 10.1016/j.jmatprotec.2012.02.002
Reid Daniel R., Pashine Nidhi, Wozniak Justin M., Jaeger Heinrich M., Liu Andrea J., Nagel Sidney R., de Pablo Juan J., Auxetic metamaterials from disordered networks, 10.1073/pnas.1717442115
Rocks Jason W., Pashine Nidhi, Bischofberger Irmgard, Goodrich Carl P., Liu Andrea J., Nagel Sidney R., Designing allostery-inspired response in mechanical networks, 10.1073/pnas.1612139114
DeCost Brian L., Holm Elizabeth A., A computer vision approach for automated analysis and classification of microstructural image data, 10.1016/j.commatsci.2015.08.011
Oliynyk Anton O., Antono Erin, Sparks Taylor D., Ghadbeigi Leila, Gaultois Michael W., Meredig Bryce, Mar Arthur, High-Throughput Machine-Learning-Driven Synthesis of Full-Heusler Compounds, 10.1021/acs.chemmater.6b02724
Carrete Jesús, Mingo Natalio, Wang Shidong, Curtarolo Stefano, Nanograined Half-Heusler Semiconductors as Advanced Thermoelectrics: An Ab Initio High-Throughput Statistical Study, 10.1002/adfm.201401201
Gaultois Michael W., Oliynyk Anton O., Mar Arthur, Sparks Taylor D., Mulholland Gregory J., Meredig Bryce, Perspective: Web-based machine learning models for real-time screening of thermoelectric materials properties, 10.1063/1.4952607
Buffon Malinda L. C., Laurita Geneva, Verma Nisha, Lamontagne Leo, Ghadbeigi Leila, Lloyd Demetrious L., Sparks Taylor D., Pollock Tresa M., Seshadri Ram, Enhancement of thermoelectric properties in the Nb–Co–Sn half-Heusler/Heusler system through spontaneous inclusion of a coherent second phase, 10.1063/1.4961215
Douglas Jason E., Chater Philip A., Brown Craig M., Pollock Tresa M., Seshadri Ram, Nanoscale structural heterogeneity in Ni-rich half-Heusler TiNiSn, 10.1063/1.4900497
McIlroy Claire, Olmsted Peter D., Deformation of an amorphous polymer during the fused-filament-fabrication method for additive manufacturing, 10.1122/1.4976839
Salzbrenner Bradley C., Rodelas Jeffrey M., Madison Jonathan D., Jared Bradley H., Swiler Laura P., Shen Yu-Lin, Boyce Brad L., High-throughput stochastic tensile performance of additively manufactured stainless steel, 10.1016/j.jmatprotec.2016.10.023
Mayer H., Recent developments in ultrasonic fatigue : Recent Developments in Ultrasonic Fatigue, 10.1111/ffe.12365
Zhu X., Jones J.W., Allison J.E., Effect of Frequency, Environment, and Temperature on Fatigue Behavior of E319 Cast-Aluminum Alloy: Small-Crack Propagation, 10.1007/s11661-008-9630-2
Guan Yingfeng, Wang Xingwu, Liu Yuandan, Potter Michael D., Sorge Korey D., Rack Philip D., Combinatorial synthesis and characterization of magnetic FexAl1−xNyO1−y thin films, 10.1016/j.tsf.2007.10.122
Su Hui, Hou Yongjin, Houk Robert S., Schrader Glenn L., Yeung Edward S., Combinatorial Screening of Heterogeneous Catalysts in Selective Oxidation of Naphthalene by Laser-Induced Fluorescence Imaging, 10.1021/ac015513i
Cassell Alan M., Verma Sunita, Delzeit Lance, Meyyappan M., Han Jie, Combinatorial Optimization of Heterogeneous Catalysts Used in the Growth of Carbon Nanotubes, 10.1021/la001273a
Unosson Erik, Rodriguez Daniel, Welch Ken, Engqvist Håkan, Reactive combinatorial synthesis and characterization of a gradient Ag–Ti oxide thin film with antibacterial properties, 10.1016/j.actbio.2014.09.048
ZHAO J, Combinatorial approaches as effective tools in the study of phase diagrams and composition–structure–property relationships, 10.1016/j.pmatsci.2005.10.001
Kuehn, M. et al. Automated confocal laser scanning microscopy and semiautomated image processing for analysis of biofilms. Appl. Environ. Microbiol. 64, 4115–4127 (1998).
Hur Su-Mi, Thapar Vikram, Ramírez-Hernández Abelardo, Khaira Gurdaman, Segal-Peretz Tamar, Rincon-Delgadillo Paulina A., Li Weihua, Müller Marcus, Nealey Paul F., de Pablo Juan J., Molecular pathways for defect annihilation in directed self-assembly, 10.1073/pnas.1508225112
Butler Keith T., Davies Daniel W., Cartwright Hugh, Isayev Olexandr, Walsh Aron, Machine learning for molecular and materials science, 10.1038/s41586-018-0337-2
Granda Jarosław M., Donina Liva, Dragone Vincenza, Long De-Liang, Cronin Leroy, Controlling an organic synthesis robot with machine learning to search for new reactivity, 10.1038/s41586-018-0307-8
Weber Angelika, von Roedern Erich, Stilz Hans Ulrich, SynCar: An Approach to Automated Synthesis, 10.1021/cc049838z
Godfrey Alexander G., Masquelin Thierry, Hemmerle Horst, A remote-controlled adaptive medchem lab: an innovative approach to enable drug discovery in the 21st Century, 10.1016/j.drudis.2013.03.001
Ley Steven V., Fitzpatrick Daniel E., Ingham Richard. J., Myers Rebecca M., Organic Synthesis: March of the Machines, 10.1002/anie.201410744
Chan Emory M., Xu Chenxu, Mao Alvin W., Han Gang, Owen Jonathan S., Cohen Bruce E., Milliron Delia J., Reproducible, High-Throughput Synthesis of Colloidal Nanocrystals for Optimization in Multidimensional Parameter Space, 10.1021/nl100669s
Green Martin L., Takeuchi Ichiro, Hattrick-Simpers Jason R., Applications of high throughput (combinatorial) methodologies to electronic, magnetic, optical, and energy-related materials, 10.1063/1.4803530
Kim Edward, Huang Kevin, Jegelka Stefanie, Olivetti Elsa, Virtual screening of inorganic materials synthesis parameters with deep learning, 10.1038/s41524-017-0055-6
Kim Edward, Huang Kevin, Saunders Adam, McCallum Andrew, Ceder Gerbrand, Olivetti Elsa, Materials Synthesis Insights from Scientific Literature via Text Extraction and Machine Learning, 10.1021/acs.chemmater.7b03500
Lawson Alexander J., Swienty-Busch Jürgen, Géoui Thibault, Evans David, The Making of Reaxys—Towards Unobstructed Access to Relevant Chemistry Information, ACS Symposium Series (2014) ISBN:0841229457 p.127-148, 10.1021/bk-2014-1164.ch008
Zhou George, Moment Aaron, Yaung Stephanie, Cote Aaron, Hu Tseng-En, Evolution and Application of an Automated Platform for the Development of Crystallization Processes, 10.1021/op400187h
Aspuru-Guzik, A. & Persson, K. Materials Acceleration Platform: Accelerating Advanced Energy Materials Discovery by Integrating High-Throughput Methods and Artificial Intelligence. Mission Innovation: Innovation Challenge 6. (2018).
Swain Matthew C., Cole Jacqueline M., ChemDataExtractor: A Toolkit for Automated Extraction of Chemical Information from the Scientific Literature, 10.1021/acs.jcim.6b00207
Ghiringhelli Luca M., Carbogno Christian, Levchenko Sergey, Mohamed Fawzi, Huhs Georg, Lüders Martin, Oliveira Micael, Scheffler Matthias, Towards efficient data exchange and sharing for big-data driven materials science: metadata and data formats, 10.1038/s41524-017-0048-5
Wilkinson Mark D., Dumontier Michel, Aalbersberg IJsbrand Jan, Appleton Gabrielle, Axton Myles, Baak Arie, Blomberg Niklas, Boiten Jan-Willem, da Silva Santos Luiz Bonino, Bourne Philip E., Bouwman Jildau, Brookes Anthony J., Clark Tim, Crosas Mercè, Dillo Ingrid, Dumon Olivier, Edmunds Scott, Evelo Chris T., Finkers Richard, Gonzalez-Beltran Alejandra, Gray Alasdair J.G., Groth Paul, Goble Carole, Grethe Jeffrey S., Heringa Jaap, ’t Hoen Peter A.C, Hooft Rob, Kuhn Tobias, Kok Ruben, Kok Joost, Lusher Scott J., Martone Maryann E., Mons Albert, Packer Abel L., Persson Bengt, Rocca-Serra Philippe, Roos Marco, van Schaik Rene, Sansone Susanna-Assunta, Schultes Erik, Sengstag Thierry, Slater Ted, Strawn George, Swertz Morris A., Thompson Mark, van der Lei Johan, van Mulligen Erik, Velterop Jan, Waagmeester Andra, Wittenburg Peter, Wolstencroft Katherine, Zhao Jun, Mons Barend, The FAIR Guiding Principles for scientific data management and stewardship, 10.1038/sdata.2016.18
Jain Anubhav, Persson Kristin A., Ceder Gerbrand, Research Update: The materials genome initiative: Data sharing and the impact of collaborative ab initio databases, 10.1063/1.4944683
Qiu H., Hudson Z. M., Winnik M. A., Manners I., Multidimensional hierarchical self-assembly of amphiphilic cylindrical block comicelles, 10.1126/science.1261816
Coskun M. Bulut, Qiu Ling, Arefin Md. Shamsul, Neild Adrian, Yuce Mehmet, Li Dan, Alan Tuncay, Detecting Subtle Vibrations Using Graphene-Based Cellular Elastomers, 10.1021/acsami.7b01207
Zhang Qisheng, Li Jie, Shizu Katsuyuki, Huang Shuping, Hirata Shuzo, Miyazaki Hiroshi, Adachi Chihaya, Design of Efficient Thermally Activated Delayed Fluorescence Materials for Pure Blue Organic Light Emitting Diodes, 10.1021/ja306538w
Gao Jun, Chen Shulun, AlTal Faleh, Hu Shiyu, Bouffier Laurent, Wantz Guillaume, Bipolar Electrode Array Embedded in a Polymer Light-Emitting Electrochemical Cell, 10.1021/acsami.7b11204
Cunningham Patrick D., Souza João B., Fedin Igor, She Chunxing, Lee Byeongdu, Talapin Dmitri V., Assessment of Anisotropic Semiconductor Nanorod and Nanoplatelet Heterostructures with Polarized Emission for Liquid Crystal Display Technology, 10.1021/acsnano.5b07949
Gonzalez Miguel I., Kapelewski Matthew T., Bloch Eric D., Milner Phillip J., Reed Douglas A., Hudson Matthew R., Mason Jarad A., Barin Gokhan, Brown Craig M., Long Jeffrey R., Separation of Xylene Isomers through Multiple Metal Site Interactions in Metal–Organic Frameworks, 10.1021/jacs.7b13825
Greeley J., Stephens I. E. L., Bondarenko A. S., Johansson T. P., Hansen H. A., Jaramillo T. F., Rossmeisl J., Chorkendorff I., Nørskov J. K., Alloys of platinum and early transition metals as oxygen reduction electrocatalysts, 10.1038/nchem.367
Lee Hyun-Taek, Kim Min-Soo, Lee Gil-Yong, Kim Chung-Soo, Ahn Sung-Hoon, Shape Memory Alloy (SMA)-Based Microscale Actuators with 60% Deformation Rate and 1.6 kHz Actuation Speed, 10.1002/smll.201801023
Bibliographic reference
de Pablo, Juan J. ; Jackson, Nicholas E. ; Webb, Michael A. ; Chen, Long-Qing ; Moore, Joel E. ; et. al. New frontiers for the materials genome initiative. In: npj Computational Materials, Vol. 5, no.1, p. - (2019)