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Robust training of machine learning interatomic potentials with dimensionality reduction and stratified sampling.
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01227-4
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- Article
Multi-scale investigation of short-range order and dislocation glide in MoNbTi and TaNbTi multi-principal element alloys.
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- NPJ Computational Materials, 2023, v. 9, n. 1, p. 1, doi. 10.1038/s41524-023-01046-z
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- Article
Realizing Wide‐Gamut Human‐Centric Display Lighting with K<sub>3</sub>AlP<sub>3</sub>O<sub>9</sub>N:Eu<sup>2+</sup>.
- Published in:
- Advanced Optical Materials, 2023, v. 11, n. 8, p. 1, doi. 10.1002/adom.202202689
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- Article
Realizing Wide‐Gamut Human‐Centric Display Lighting with K<sub>3</sub>AlP<sub>3</sub>O<sub>9</sub>N:Eu<sup>2+</sup> (Advanced Optical Materials 8/2023).
- Published in:
- Advanced Optical Materials, 2023, v. 11, n. 8, p. 1, doi. 10.1002/adom.202202689
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- Publication type:
- Article
Realizing Wide‐Gamut Human‐Centric Display Lighting with K<sub>3</sub>AlP<sub>3</sub>O<sub>9</sub>N:Eu<sup>2+</sup> (Advanced Optical Materials 8/2023)
- Published in:
- Advanced Optical Materials, 2023, v. 11, n. 8, p. 1, doi. 10.1002/adom.202202689
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- Publication type:
- Article
Atomic-scale origin of the low grain-boundary resistance in perovskite solid electrolyte Li<sub>0.375</sub>Sr<sub>0.4375</sub>Ta<sub>0.75</sub>Zr<sub>0.25</sub>O<sub>3</sub>.
- Published in:
- Nature Communications, 2023, v. 14, n. 1, p. 1, doi. 10.1038/s41467-023-37115-6
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- Publication type:
- Article
Atomic-scale origin of the low grain-boundary resistance in perovskite solid electrolyte Li<sub>0.375</sub>Sr<sub>0.4375</sub>Ta<sub>0.75</sub>Zr<sub>0.25</sub>O<sub>3</sub>.
- Published in:
- Nature Communications, 2023, v. 14, n. 1, p. 1, doi. 10.1038/s41467-023-37115-6
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- Publication type:
- Article
Vibrational EELS for Solid-State Li-Ion Batteries: Mapping Li Distributions and Beyond.
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- 2023
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- Publication type:
- Abstract
Atomic-scale Origin of the Low Grain-boundary Resistance in Perovskite Solid Electrolyte Li<sub>0.375</sub>Sr<sub>0.4375</sub>Ta<sub>0.75</sub>Zr<sub>0.25</sub>O<sub>3</sub>.
- Published in:
- 2023
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- Publication type:
- Abstract
All‐Electric Nonassociative Learning in Nickel Oxide.
- Published in:
- Advanced Intelligent Systems (2640-4567), 2022, v. 4, n. 10, p. 1, doi. 10.1002/aisy.202200069
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- Publication type:
- Article
A flexible and scalable scheme for mixing computed formation energies from different levels of theory.
- Published in:
- NPJ Computational Materials, 2022, v. 8, n. 1, p. 1, doi. 10.1038/s41524-022-00881-w
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- Article
Recent advances and applications of deep learning methods in materials science.
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- NPJ Computational Materials, 2022, v. 8, n. 1, p. 1, doi. 10.1038/s41524-022-00734-6
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- Article
AtomSets as a hierarchical transfer learning framework for small and large materials datasets.
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- NPJ Computational Materials, 2021, v. 7, n. 1, p. 1, doi. 10.1038/s41524-021-00639-w
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- Article
Atomistic simulations of dislocation mobility in refractory high-entropy alloys and the effect of chemical short-range order.
- Published in:
- Nature Communications, 2021, v. 12, n. 1, p. 1, doi. 10.1038/s41467-021-25134-0
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- Article
A framework for quantifying uncertainty in DFT energy corrections.
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- Scientific Reports, 2021, v. 11, n. 1, p. 1, doi. 10.1038/s41598-021-94550-5
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- Article
Database of ab initio L-edge X-ray absorption near edge structure.
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- Scientific Data, 2021, v. 8, n. 1, p. 1, doi. 10.1038/s41597-021-00936-5
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- Article
A stable cathode-solid electrolyte composite for high-voltage, long-cycle-life solid-state sodium-ion batteries.
- Published in:
- Nature Communications, 2021, v. 12, n. 1, p. 1, doi. 10.1038/s41467-021-21488-7
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- Article
Design Principles for Cation‐Mixed Sodium Solid Electrolytes.
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- Advanced Energy Materials, 2021, v. 11, n. 7, p. 1, doi. 10.1002/aenm.202003196
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- Article
Vanadyl Phosphates A<sub>x</sub>VOPO<sub>4</sub> (A = Li, Na, K) as Multielectron Cathodes for Alkali‐Ion Batteries.
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- Advanced Energy Materials, 2020, v. 10, n. 47, p. 1, doi. 10.1002/aenm.202002638
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- Article
Complex strengthening mechanisms in the NbMoTaW multi-principal element alloy.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-0339-0
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- Article
A Critical Review of Machine Learning of Energy Materials.
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- Advanced Energy Materials, 2020, v. 10, n. 8, p. 1, doi. 10.1002/aenm.201903242
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- Article
An electrostatic spectral neighbor analysis potential for lithium nitride.
- Published in:
- NPJ Computational Materials, 2019, v. 5, n. 1, p. N.PAG, doi. 10.1038/s41524-019-0212-1
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- Publication type:
- Article
2DMatPedia, an open computational database of two-dimensional materials from top-down and bottom-up approaches.
- Published in:
- Scientific Data, 2019, v. 6, n. 1, p. N.PAG, doi. 10.1038/s41597-019-0097-3
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- Article
Studies of Functional Defects for Fast Na‐Ion Conduction in Na<sub>3−</sub><sub>y</sub>PS<sub>4−</sub><sub>x</sub>Cl<sub>x</sub> with a Combined Experimental and Computational Approach.
- Published in:
- Advanced Functional Materials, 2019, v. 29, n. 5, p. 1, doi. 10.1002/adfm.201807951
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- Publication type:
- Article
Automated generation and ensemble-learned matching of X-ray absorption spectra.
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- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0067-x
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- Publication type:
- Article
Author Correction: Automated generation and ensemble-learned matching of X-ray absorption spectra.
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- 2018
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- Publication type:
- Correction Notice
Deep neural networks for accurate predictions of crystal stability.
- Published in:
- Nature Communications, 2018, v. 9, n. 1, p. 1, doi. 10.1038/s41467-018-06322-x
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- Article
KVOPO<sub>4</sub>: A New High Capacity Multielectron Na-Ion Battery Cathode.
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- Advanced Energy Materials, 2018, v. 8, n. 21, p. 1, doi. 10.1002/aenm.201800221
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- Article
KVOPO<sub>4</sub>: A New High Capacity Multielectron Na‐Ion Battery Cathode.
- Published in:
- Advanced Energy Materials, 2018, v. 8, n. 21, p. 1, doi. 10.1002/aenm.201800221
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- Publication type:
- Article
Perovskite Photoluminescence: Direct Observation of Halide Migration and its Effect on the Photoluminescence of Methylammonium Lead Bromide Perovskite Single Crystals (Adv. Mater. 43/2017).
- Published in:
- Advanced Materials, 2017, v. 29, n. 43, p. n/a, doi. 10.1002/adma.201770314
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- Article
Direct Observation of Halide Migration and its Effect on the Photoluminescence of Methylammonium Lead Bromide Perovskite Single Crystals.
- Published in:
- Advanced Materials, 2017, v. 29, n. 43, p. n/a, doi. 10.1002/adma.201703451
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- Article
Creation of an XAS and EELS Spectroscopy Resource within the Materials Project using FEFF9.
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- Microscopy & Microanalysis, 2017, v. 23, p. 208, doi. 10.1017/S1431927617001726
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- Article
Room-Temperature All-solid-state Rechargeable Sodium-ion Batteries with a Cl-doped Na<sub>3</sub>PS<sub>4</sub> Superionic Conductor.
- Published in:
- Scientific Reports, 2016, p. 33733, doi. 10.1038/srep33733
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- Article
Design and synthesis of the superionic conductor Na<sub>10</sub>SnP<sub>2</sub>S<sub>12</sub>.
- Published in:
- Nature Communications, 2016, v. 7, n. 3, p. 11009, doi. 10.1038/ncomms11009
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- Publication type:
- Article
FireWorks: a dynamic workflow system designed for high-throughput applications.
- Published in:
- Concurrency & Computation: Practice & Experience, 2015, v. 27, n. 17, p. 5037, doi. 10.1002/cpe.3505
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- Article
Design principles for solid-state lithium superionic conductors.
- Published in:
- Nature Materials, 2015, v. 14, n. 10, p. 1026, doi. 10.1038/nmat4369
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- Article
Direct visualization of the Jahn-Teller effect coupled to Na ordering in Na<sub>5/8</sub>MnO<sub>2</sub>.
- Published in:
- Nature Materials, 2014, v. 13, n. 6, p. 586, doi. 10.1038/nmat3964
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- Article