Commentary: The Materials Project: A materials genome approach to accelerating materials innovation

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Items 201–300 of 1,039

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3. Machine learning: Accelerating materials development for energy storage and conversion
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5. Atomic Layer Deposition of Stable LiAlF4 Lithium Ion Conductive Interfacial Layer for Stable Cathode Cycling
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7. Solid Electrolyte Interphase on Native Oxide-Terminated Silicon Anodes for Li-Ion Batteries
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8. Identifying an efficient, thermally robust inorganic phosphor host via machine learning
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9. Computational Study of Halide Perovskite-Derived A 2 BX 6 Inorganic Compounds: Chemical Trends in Electronic Structure and Structural Stability
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10. Topology-Scaling Identification of Layered Solids and Stable Exfoliated 2D Materials
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11. Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows
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12. Autonomous Discovery in the Chemical Sciences Part I: Progress
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13. Accelerating high-throughput searches for new alloys with active learning of interatomic potentials
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14. Discovery of new materials using combinatorial synthesis and high-throughput characterization of thin-film materials libraries combined with computational methods
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15. Machine Learning for Computational Heterogeneous Catalysis
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16. Computational Discovery of Transition-metal Complexes: From High-throughput Screening to Machine Learning
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17. Crystal water for high performance layered manganese oxide cathodes in aqueous rechargeable zinc batteries
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18. PyProcar: A Python library for electronic structure pre/post-processing
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19. Stability and electronic properties of new inorganic perovskites from high-throughput ab initio calculations
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20. The NOMAD laboratory: from data sharing to artificial intelligence
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21. The Chemistry of Reticular Framework Nanoparticles: MOF, ZIF, and COF Materials
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22. Accelerating Materials Development via Automation, Machine Learning, and High-Performance Computing
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23. MatSciBERT: A materials domain language model for text mining and information extraction
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24. High entropy oxides-exploring a paradigm of promising catalysts: A review
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25. Big–deep–smart data in imaging for guiding materials design
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26. Prediction of Synthesis of 2D Metal Carbides and Nitrides (MXenes) and Their Precursors with Positive and Unlabeled Machine Learning
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27. Energy storage emerging: A perspective from the Joint Center for Energy Storage Research
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28. Mechanistic insights into chemical and photochemical transformations of bismuth vanadate photoanodes
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29. Nodal surface semimetals: Theory and material realization
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30. Progress and Opportunities for Machine Learning in Materials and Processes of Additive Manufacturing
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31. AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance
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32. Physics-informed Neural Networks (PINN) for computational solid mechanics: Numerical frameworks and applications
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33. Exchange-correlation functionals for band gaps of solids: benchmark, reparametrization and machine learning
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34. Enhancing materials property prediction by leveraging computational and experimental data using deep transfer learning
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35. ABINIT: Overview and focus on selected capabilities
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36. Predicting the Thermodynamic Stability of Solids Combining Density Functional Theory and Machine Learning
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37. First-principles Green's-function method for surface calculations: A pseudopotential localized basis set approach
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38. Developing an improved crystal graph convolutional neural network framework for accelerated materials discovery
    Cheol Woo Park, Chris Wolverton · 2020 · Physical Review Materials
39. Evaluating explorative prediction power of machine learning algorithms for materials discovery using k -fold forward cross-validation
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40. Exceptional plasticity in the bulk single-crystalline van der Waals semiconductor InSe
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41. Prediction model of band gap for inorganic compounds by combination of density functional theory calculations and machine learning techniques
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42. Benchmarking graph neural networks for materials chemistry
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43. Generative adversarial networks (GAN) based efficient sampling of chemical composition space for inverse design of inorganic materials
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44. Machine Learning-Assisted Discovery of Solid Li-Ion Conducting Materials
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45. Double Dirac Semimetals in Three Dimensions.
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46. The Materials Data Facility: Data Services to Advance Materials Science Research
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47. The Open Catalyst 2022 (OC22) Dataset and Challenges for Oxide Electrocatalysts
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48. An Analogous Periodic Law for Strong Anchoring of Polysulfides on Polar Hosts in Lithium Sulfur Batteries: S- or Li-Binding on First-Row Transition-Metal Sulfides?
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49. Data-Driven First-Principles Methods for the Study and Design of Alkali Superionic Conductors
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50. Large-Scale Benchmark of Exchange–Correlation Functionals for the Determination of Electronic Band Gaps of Solids
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51. Undesired Reactions in Aqueous Rechargeable Zinc Ion Batteries
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52. Materials Cloud, a platform for open computational science
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53. Machine Learning Directed Search for Ultraincompressible, Superhard Materials
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54. Recent advances in understanding Li–CO 2 electrochemistry
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55. Descriptors of Oxygen-Evolution Activity for Oxides: A Statistical Evaluation
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56. Electrochemical Stability of Metastable Materials
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57. High-throughput computational screening of thermal conductivity, Debye temperature, and Grüneisen parameter using a quasiharmonic Debye model
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58. Fulfilling the promise of the materials genome initiative with high-throughput experimental methodologies
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59. Catalysis-Hub.org, an open electronic structure database for surface reactions
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60. Na3MnZr(PO4)3: A High-Voltage Cathode for Sodium Batteries
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61. Data-driven materials research enabled by natural language processing and information extraction
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62. Revitalized interest in vanadium pentoxide as cathode material for lithium-ion batteries and beyond
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63. Unsupervised discovery of solid-state lithium ion conductors
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64. Machine learning for renewable energy materials
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65. A database to enable discovery and design of piezoelectric materials
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66. Symmetry-Adapted Machine Learning for Tensorial Properties of Atomistic Systems
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67. Triple Point Topological Metals
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68. An integrated surface coating strategy to enhance the electrochemical performance of nickel-rich layered cathodes
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69. A Comprehensive Discovery Platform for Organophosphorus Ligands for Catalysis
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70. High-Throughput Computational Screening of Two-Dimensional Semiconductors
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71. Quantum-Chemical Characterization of the Properties and Reactivities of Metal–Organic Frameworks
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72. Symbolic regression in materials science
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73. Bond Valence Pathway Analyzer—An Automatic Rapid Screening Tool for Fast Ion Conductors within softBV
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74. Machine Learning‐Driven Biomaterials Evolution
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75. What Is High-Throughput Virtual Screening? A Perspective from Organic Materials Discovery
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76. Cobalt-free, high-nickel layered oxide cathodes for lithium-ion batteries: Progress, challenges, and perspectives
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77. Materials Cartography: Representing and Mining Materials Space Using Structural and Electronic Fingerprints
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78. Recent progress in theoretical and computational investigations of Li-ion battery materials and electrolytes
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79. Layered ternary M n+1 AX n phases and their 2D derivative MXene: an overview from a thin-film perspective
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80. Degradation Mechanism of Ni-Rich Cathode Materials: Focusing on Particle Interior
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81. High‐Performance Bismuth‐Doped Nickel Aerogel Electrocatalyst for the Methanol Oxidation Reaction
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82. Materials Informatics: The Materials “Gene” and Big Data
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83. Machine learning-driven new material discovery
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84. Deep materials informatics: Applications of deep learning in materials science
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85. GPAW: An open Python package for electronic structure calculations
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86. Graphitic Carbon Nitride (g‐C 3 N 4 ): An Interface Enabler for Solid‐State Lithium Metal Batteries
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87. A Review of Transition Metal Boride, Carbide, Pnictide, and Chalcogenide Water Oxidation Electrocatalysts
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88. Modeling of multi-scale transport phenomena in shale gas production — A critical review
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89. General Synthesis of Dual Carbon‐Confined Metal Sulfides Quantum Dots Toward High‐Performance Anodes for Sodium‐Ion Batteries
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90. Room-Temperature All-solid-state Rechargeable Sodium-ion Batteries with a Cl-doped Na3PS4 Superionic Conductor
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91. A stable cathode-solid electrolyte composite for high-voltage, long-cycle-life solid-state sodium-ion batteries
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92. Efficient and stable noble-metal-free catalyst for acidic water oxidation
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93. DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science
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94. Discovery of earth-abundant nitride semiconductors by computational screening and high-pressure synthesis
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95. Tensile strength of commercial polymer materials for fused filament fabrication 3D printing
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96. Machine Learning Enabled Computational Screening of Inorganic Solid Electrolytes for Suppression of Dendrite Formation in Lithium Metal Anodes
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97. RETRACTED ARTICLE: Theory-guided Sn/Cu alloying for efficient CO2 electroreduction at low overpotentials
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98. Materials genomics methods for high-throughput construction of COFs and targeted synthesis
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99. Classical and Emerging Characterization Techniques for Investigation of Ion Transport Mechanisms in Crystalline Fast Ionic Conductors
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100. Quadruple-band synglisis enables high thermoelectric efficiency in earth-abundant tin sulfide crystals
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