RESEARCH PAPER · Scientific Data · 2018
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Stabilization of wide band-gap p-type wurtzite MnTe thin films on amorphous substrates
Journal of Materials Chemistry C · 2018-01-01
Sebastian Siol, Yanbing Han, John S. Mangum, Philip Schulz, Aaron M. Holder, Talysa R. Klein, Maikel F. A. M. van Hest, Brian P. Gorman, Andriy Zakutayev
Read original paper ↗ ·Combinatorial Nitrogen Gradients in Sputtered Thin Films
ACS Combinatorial Science · 2018-05-17
Yanbing Han, Bethany E. Matthews, Dennice M. Roberts, Kevin R. Talley, Sage R. Bauers, Craig L. Perkins, Qun Zhang, Andriy Zakutayev
Read original paper ↗ ·Accelerating Materials Development via Automation, Machine Learning, and High-Performance Computing
Joule · 2018-06-12
Juan‐Pablo Correa‐Baena, Kedar Hippalgaonkar, Jeroen van Duren, Shaffiq A. Jaffer, Vijay Chandrasekhar, Vladan Stevanović, Cyrus Wadia, Supratik Guha, Tonio Buonassisi
Read original paper ↗ ·Zinc-Stabilized Manganese Telluride with Wurtzite Crystal Structure
The Journal of Physical Chemistry C · 2018-07-23
Yanbing Han, Aaron M. Holder, Sebastian Siol, Stephan Lany, Qun Zhang, Andriy Zakutayev
Read original paper ↗ ·Data-centric science for materials innovation
MRS Bulletin · 2018-09-01
Isao Tanaka, Krishna Rajan, Christopher Wolverton
Read original paper ↗ ·Descriptor–property relationships in heterogeneous catalysis: exploiting synergies between statistics and fundamental kinetic modelling
Catalysis Science & Technology · 2019-01-01
Laura Pirro, Pedro S.F. Mendes, Stijn Paret, Bart D. Vandegehuchte, Guy B Marin, Joris W. Thybaut
Read original paper ↗ ·Predicting structure/property relationships in multi-dimensional nanoparticle data using t-distributed stochastic neighbour embedding and machine learning
Nanoscale · 2019-01-01
Amanda Susan Barnard, George Opletal
Read original paper ↗ ·Progress and prospects for accelerating materials science with automated and autonomous workflows
Chemical Science · 2019-01-01
Helge Sören Stein, John M. Gregoire
Read original paper ↗ ·Systematic exploration of the mechanical properties of 13 621 inorganic compounds
Chemical Science · 2019-01-01
Siwar Chibani, François‐Xavier Coudert
Read original paper ↗ ·Accessing Metastability in Heterostructural Semiconductor Alloys
physica status solidi (a) · 2019-02-25
Sebastian Siol
Read original paper ↗ ·An Inter-Laboratory Study of Zn–Sn–Ti–O Thin Films using High-Throughput Experimental Methods
ACS Combinatorial Science · 2019-03-19
Jason R. Hattrick-Simpers, Andriy Zakutayev, Sara C. Barron, Zachary Trautt, Nam Nguyen Van, Kamal Kumar Choudhary, Brian DeCost, Caleb T. Phillips, Aaron Gilad Kusne, Feng Yi, Apurva Mehta, Ichiro Takeuchi, John D. Perkins, Martin L. Green
Read original paper ↗ ·Composition, structure, and semiconducting properties of Mg x Zr 2− x N 2 thin films
Japanese Journal of Applied Physics · 2019-05-03
Sage R. Bauers, Danielle M. Hamann, Ashlea R. Patterson, John D. Perkins, Kevin R. Talley, Andriy Zakutayev
Read original paper ↗ ·Machine Learning for Computational Heterogeneous Catalysis
ChemCatChem · 2019-05-15
Philomena Schlexer, Kirsten T. Winther, José Antonio Garrido Torres, Verena Streibel, Meng Zhao, Michal Bajdich, Frank Abild‐Pedersen, Thomas Bligaard
Read original paper ↗ ·COMBIgor: Data-Analysis Package for Combinatorial Materials Science
ACS Combinatorial Science · 2019-05-23
Kevin R. Talley, Sage R. Bauers, Celeste L. Melamed, Meagan C. Papac, Karen N. Heinselman, Imran Khan, Dennice M. Roberts, Valerie Jacobson, Allison V. Mis, Geoff L. Brennecka, John D. Perkins, Andriy Zakutayev
Read original paper ↗ ·Opto-electronic properties of Co-Zn-Ni-O films deposited by RF-sputtering at ambient-temperature
Journal of Alloys and Compounds · 2019-05-24
Joshua Cody Ford, Andriy Zakutayev, Paul F. Ndione, Ajaya K. Sigdel, N. Edwin Widjonarko, Philip A. Parilla, Bart Van Zeghbroeck, Joseph J. Berry, David S. Ginley, John D. Perkins
Read original paper ↗ ·Modelling of framework materials at multiple scales: current practices and open questions
Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences · 2019-05-27
Guillaume Fraux, Siwar Chibani, François‐Xavier Coudert
Read original paper ↗ ·Accelerated Development of Perovskite-Inspired Materials via High-Throughput Synthesis and Machine-Learning Diagnosis
Joule · 2019-06-01
Shijing Sun, Noor Titan Putri Hartono, Zekun Ren, Felipe Oviedo, Antonio M. Buscemi, Mariya Layurova, De Xin Chen, Tofunmi Ogunfunmi, Janak Thapa, Savitha Ramasamy, Charles M. Settens, Brian DeCost, Aaron Gilad Kusne, Zhe Liu, Siyu Isaac Parker Tian, Ian Marius Peters, Juan‐Pablo Correa‐Baena, Tonio Buonassisi
Read original paper ↗ ·Synthesis of Lanthanum Tungsten Oxynitride Perovskite Thin Films
Advanced Electronic Materials · 2019-06-03
Kevin R. Talley, John S. Mangum, Craig L. Perkins, Rachel Woods‐Robinson, Apurva Mehta, Brian P. Gorman, Geoff L. Brennecka, Andriy Zakutayev
Read original paper ↗ ·Experiment Specification, Capture and Laboratory Automation Technology (ESCALATE): a software pipeline for automated chemical experimentation and data management
MRS Communications · 2019-06-04
Ian M. Pendleton, Gary Cattabriga, Zhi Li, Mansoor Ani Najeeb, Sorelle A. Friedler, Alexander J. Norquist, Emory M. Chan, Joshua Schrier
Read original paper ↗ ·Ternary nitride semiconductors in the rocksalt crystal structure
Proceedings of the National Academy of Sciences · 2019-07-03
Sage R. Bauers, Aaron M. Holder, Wenhao Q. Sun, Celeste L. Melamed, Rachel Woods‐Robinson, John S. Mangum, John D. Perkins, William Tumas, Brian P. Gorman, Adele C. Tamboli, Gerbrand Ceder, Stephan Lany, Andriy Zakutayev
Read original paper ↗ ·Discovery of new materials using combinatorial synthesis and high-throughput characterization of thin-film materials libraries combined with computational methods
npj Computational Materials · 2019-07-10
Alfred Ludwig
Read original paper ↗ ·Tracking materials science data lineage to manage millions of materials experiments and analyses
npj Computational Materials · 2019-07-26
Edwin Soedarmadji, Helge Sören Stein, Santosh K. Suram, Dan Guevarra, John M. Gregoire
Read original paper ↗ ·Recent advances and applications of machine learning in solid-state materials science
npj Computational Materials · 2019-08-08
Jonathan Schmidt, Mário R. G. Marques, Silvana Botti, Miguel A. L. Marques
Read original paper ↗ ·Data‐Driven Materials Science: Status, Challenges, and Perspectives
Advanced Science · 2019-09-01
Lauri Himanen, Amber Geurts, Adam Stuart Foster, Patrick Rinke
Read original paper ↗ ·Combinatorial Tuning of Structural and Optoelectronic Properties in Cu Zn1−S
Matter · 2019-09-04
Rachel Woods‐Robinson, Yanbing Han, John S. Mangum, Celeste L. Melamed, Brian P. Gorman, Apurva Mehta, Kristin Aslaug Persson, Andriy Zakutayev
Read original paper ↗ ·Experimental Data Curation at Large Instrument Facilities with Open Source Software
International Journal of Digital Curation · 2019-09-11
Line Catherine Pouchard, Kerstin Kleese van Dam, Stuart I. Campbell
Read original paper ↗ ·Unexpected Transitions Yield Interesting Science and High-Performance Materials
Matter · 2019-10-01
John M. Gregoire
Read original paper ↗ ·The Material Indices Method in the Sustainable Engineering Design Process: A Review
Sustainability · 2019-10-02
Bogdan Branowski, Marek Zabłocki, Maciej Sydor
Read original paper ↗ ·Review of high-throughput approaches to search for piezoelectric nitrides
Journal of Vacuum Science & Technology A Vacuum Surfaces and Films · 2019-10-24
Kevin R. Talley, Rachel Sherbondy, Andriy Zakutayev, Geoff L. Brennecka
Read original paper ↗ ·Battery 2030+ Roadmap
Unknown journal · 2020-01-01
Kristina Edström, Robert Dominko, Maximilian Fichtner, Simon Perraud
Read original paper ↗ ·Machine-learning-assisted search for functional materials over extended chemical space
Materials Horizons · 2020-01-01
Vadim Korolev, Artem A. Mitrofanov, Artem A. Eliseev, Valery Tkachenko
Read original paper ↗ ·Templated Growth of Metastable Polymorphs on Amorphous Substrates with Seed Layers
Physical Review Applied · 2020-01-08
Yanbing Han, Ryan M. Trottier, Sebastian Siol, Bethany E. Matthews, Matthew R. Young, Charles B. Musgrave, Stephan Lany, Janet Tate, Qun Zhang, Aaron M. Holder, Andriy Zakutayev
Read original paper ↗ ·Wurtzite materials in alloys of rock salt compounds
Journal of materials research/Pratt's guide to venture capital sources · 2020-01-24
Yanbing Han, Samantha L. Millican, Jun Liu, Sage R. Bauers, Sebastian Siol, Stephan Lany, Mowafak M. Al-Jassim, Charles B. Musgrave, Aaron M. Holder, Andriy Zakutayev
Read original paper ↗ ·A Critical Review of Machine Learning of Energy Materials
Advanced Energy Materials · 2020-01-29
Chi Chen, Yunxing Zuo, Weike Ye, Xiangguo Li, Zhi Deng, Shyue Ping Ong
Read original paper ↗ ·Artificial Intelligence to Power the Future of Materials Science and Engineering
Advanced Intelligent Systems · 2020-02-11
Wuxin Sha, Yaqing Guo, Qing Min Yuan, Shun Tang, Xinfang Zhang, Songfeng Lu, Xin Guo, Yuan‐Cheng Cao, Shijie Cheng
Read original paper ↗ ·Metaheuristic-based inverse design of materials – A survey
Journal of Materiomics · 2020-02-22
Thunshun Warren Liao, Guoqiang Li
Read original paper ↗ ·Combined Spatially Resolved Characterization of Antireflection and Antisoiling Coatings for PV Module Glass
ACS Combinatorial Science · 2020-03-02
Stephanie L. Moffitt, Conor T. Riley, Benjamin H. Ellis, Robert A. Fleming, Corey S. Thompson, Patrick D. Burton, Margaret Ellen Gordon, Andriy Zakutayev, Laura T. Schelhas
Read original paper ↗ ·Evolving the Materials Genome: How Machine Learning Is Fueling the Next Generation of Materials Discovery
Annual Review of Materials Research · 2020-04-21
Changwon Suh, Clyde Fare, James A. Warren, Edward O. Pyzer‐Knapp
Read original paper ↗ ·Metastability at Defective Metal Oxide Interfaces and Nanoconfined Structures
Advanced Materials Interfaces · 2020-05-19
Vincenzo Esposito, Ivano E. Castelli
Read original paper ↗ ·High-throughput density functional perturbation theory and machine learning predictions of infrared, piezoelectric, and dielectric responses
npj Computational Materials · 2020-05-27
Kamal Kumar Choudhary, Kevin F. Garrity, Vinit Sharma, Adam J. Biacchi, Angela R. Hight Walker, Francesca Tavazza
Read original paper ↗ ·Recent advances in knowledge discovery for heterogeneous catalysis using machine learning
Catalysis Reviews · 2020-06-02
Mehmet Erdem Günay, Ramazan Yıldırım
Read original paper ↗ ·Fast-Track to Research Data Management in Experimental Material Science–Setting the Ground for Research Group Level Materials Digitalization
ACS Combinatorial Science · 2020-06-19
Lars Banko, Alfred Ludwig
Read original paper ↗ ·$Mg_xZn_{1-x}O$ contact to $CuGa_3Se_5$ absorber for photovoltaic and photoelectrochemical devices
arXiv (Cornell University) · 2020-10-04
Imran Khan, Christopher P. Muzzillo, Craig L. Perkins, Andrew G. Norman, James L. Young, Nicolas M. Gaillard, Andriy Zakutayev
Read original paper ↗ ·Machine learning in materials design: Algorithm and application*
Chinese Physics B · 2020-10-14
Zhilong Song, Xiwen Chen, Fanbin Meng, Guanjian Cheng, Chen Wang, Zhongti Sun, Wan‐Jian Yin
Read original paper ↗ ·Phase formation of manganese oxide thin films using pulsed laser deposition
Materials Advances · 2020-10-23
Lauren M. Garten, Selvarasu Praneetha, John D. Perkins, David S. Ginley, Andriy Zakutayev
Read original paper ↗ ·The joint automated repository for various integrated simulations (JARVIS) for data-driven materials design
npj Computational Materials · 2020-11-12
Kamal Choudhary, Kevin F. Garrity, Andrew C. E. Reid, Brian DeCost, Adam J. Biacchi, Angela R. Hight Walker, Zachary Trautt, Jason Hattrick-Simpers, A. Gilad Kusne, Andrea Centrone, Albert Davydov, Jie Jiang, Ruth Pachter, Gowoon Cheon, Evan J. Reed, Ankit Agrawal, Xiaofeng Qian, Vinit Sharma, Houlong Zhuang, Sergei V. Kalinin, Bobby G. Sumpter, Ghanshyam Pilania, Pinar Acar, Subhasish Mandal, Kristjan Haule, David Vanderbilt, Karin Rabe, Francesca Tavazza
Read original paper ↗ ·Data-driven materials research enabled by natural language processing and information extraction
Applied Physics Reviews · 2020-12-01
Elsa Olivetti, Jacqueline M. Cole, Edward Kim, Olga Kononova, Gerbrand Ceder, T. Yong-Jin Han, Anna M. Hiszpanski
Read original paper ↗ ·The Earth Mover’s Distance as a Metric for the Space of Inorganic Compositions
Chemistry of Materials · 2020-12-02
Cameron J. Hargreaves, Matthew Stephen Dyer, Michael W. Gaultois, Vitaliy A. Kurlin, Matthew J. Rosseinsky
Read original paper ↗ ·Mg x Zn1−x O contact to CuGa3Se5 absorber for photovoltaic and photoelectrochemical devices
Journal of Physics Energy · 2020-12-15
Imran Khan, Christopher P. Muzzillo, Craig L. Perkins, Andrew G. Norman, James L. Young, Nicolas M. Gaillard, Andriy Zakutayev
Read original paper ↗ ·An open-source, end-to-end workflow for multidimensional photoemission spectroscopy
Scientific Data · 2020-12-17
Rui Patrick Xian, Yves Acremann, Steinn Y. Agustsson, Maciej Dendzik, Kevin Bühlmann, Davide Curcio, Dmytro Kutnyakhov, Federico Pressacco, Michael Heber, Shuo Dong, Tommaso Pincelli, Jure Demsar, Wilfried Wurth, Philip Hofmann, Martin Wolf, Markus Scheidgen, Laurenz Rettig, Ralph Ernstorfer
Read original paper ↗ ·