Machine-learning enabled thermodynamic model for the design of new rare-earth compounds

High-throughput reaction engineering to assess the oxidation stability of MAX phases

(2021) D. Sauceda et al.   npj Computational Materials

Machine-learning-guided discovery of the gigantic magnetocaloric effect in HoB2 near the hydrogen liquefaction temperature

(2020) Pedro Baptista de Castro et al.   NPG Asia Materials

Review of rare earth elements recovery from secondary resources for clean energy technologies: Grand opportunities to create wealth from waste

(2020) Rajesh Kumar Jyothi et al.   JOURNAL OF CLEANER PRODUCTION

New tolerance factor to predict the stability of perovskite oxides and halides

(2019) Christopher J. Bartel et al.   Science Advances

Revealing the Nature of Antiferroquadrupolar Ordering in Cerium Hexaboride: CeB6

(2019) C. K. Barman et al.   PHYSICAL REVIEW LETTERS

Sustainability analysis of innovative technologies for the rare earth elements recovery

(2019) A. Amato et al.   RENEWABLE & SUSTAINABLE ENERGY REVIEWS

Solving the Coloring Problem in Half-Heusler Structures: Machine-Learning Predictions and Experimental Validation

(2019) Alexander S. Gzyl et al.   INORGANIC CHEMISTRY

Recent advances and applications of machine learning in solid-state materials science

(2019) Jonathan Schmidt et al.   npj Computational Materials

An assessment of U.S. rare earth availability for supporting U.S. wind energy growth targets

(2018) D.D. Imholte et al.   ENERGY POLICY

Understanding the element segregation and phase separation in the Ce-substituted Nd-(Fe,Co)-B based alloys

(2018) L. Z. Zhao et al.   Scientific Reports

Ta-Nb-Mo-W refractory high-entropy alloys: Anomalous ordering behavior and its intriguing electronic origin

(2018) Prashant Singh et al.   PHYSICAL REVIEW MATERIALS

SISSO: A compressed-sensing method for identifying the best low-dimensional descriptor in an immensity of offered candidates

(2018) Runhai Ouyang et al.   PHYSICAL REVIEW MATERIALS

Physical descriptor for the Gibbs energy of inorganic crystalline solids and temperature-dependent materials chemistry

(2018) Christopher J. Bartel et al.   Nature Communications

Disentangling Structural Confusion through Machine Learning: Structure Prediction and Polymorphism of Equiatomic Ternary Phases ABC

(2017) Anton O. Oliynyk et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Universal fragment descriptors for predicting properties of inorganic crystals

(2017) Olexandr Isayev et al.   Nature Communications

New phases of 3d-transition metal–cerium binary compounds: an extensive structural search

(2017) Xiaorui Sun et al.   RSC Advances

Atomic and Ionic Radii of Elements 1-96

(2016) Martin Rahm et al.   CHEMISTRY-A EUROPEAN JOURNAL

Can artificial intelligence create the next wonder material?

(2016) Nicola Nosengo   NATURE

Karl A. Gschneidner Jr (1930–2016)

(2016) Vitalij K. Pecharsky   NATURE MATERIALS

Discovering governing equations from data by sparse identification of nonlinear dynamical systems

(2016) Steven L. Brunton et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Fluid catalytic cracking: recent developments on the grand old lady of zeolite catalysis

(2015) E. T. C. Vogt et al.   CHEMICAL SOCIETY REVIEWS

Big Data of Materials Science: Critical Role of the Descriptor

(2015) Luca M. Ghiringhelli et al.   PHYSICAL REVIEW LETTERS

Enhanced orbital magnetic moments in magnetic heterostructures with interface perpendicular magnetic anisotropy

(2015) Tetsuro Ueno et al.   Scientific Reports

Magnetic refrigerator for hydrogen liquefaction

(2014) T. Numazawa et al.   CRYOGENICS

Switching of perpendicular magnetization by spin–orbit torques in the absence of external magnetic fields

(2014) Guoqiang Yu et al.   Nature Nanotechnology

Combinatorial screening for new materials in unconstrained composition space with machine learning

(2014) B. Meredig et al.   PHYSICAL REVIEW B

Accurate determination of band gaps within density functional formalism

(2013) Prashant Singh et al.   PHYSICAL REVIEW B

Review on cerium intermetallic compounds: A bird's eye outlook through DFT

(2013) Samir F. Matar   PROGRESS IN SOLID STATE CHEMISTRY

Electronegativity calculation of bulk modulus and band gap of ternary ZnO-based alloys

(2012) Keyan Li et al.   MATERIALS RESEARCH BULLETIN

Magnetic susceptibility of cerium: An LDA+DMFT study

(2012) S. V. Streltsov et al.   PHYSICAL REVIEW B

Heavy fermion superconductor CeCu2Si2under high pressure: Multiprobing the valence crossover

(2012) G. Seyfarth et al.   PHYSICAL REVIEW B

Perpendicular switching of a single ferromagnetic layer induced by in-plane current injection

(2011) Ioan Mihai Miron et al.   NATURE

Rare earths: jewels for functional materials of the future

(2011) Svetlana V. Eliseeva et al.   NEW JOURNAL OF CHEMISTRY

Progress on lanthanide-based organic–inorganic hybrid phosphors

(2010) Luís D. Carlos et al.   CHEMICAL SOCIETY REVIEWS

Finding Nature’s Missing Ternary Oxide Compounds Using Machine Learning and Density Functional Theory

(2010) Geoffroy Hautier et al.   CHEMISTRY OF MATERIALS

Martensitic features in Si doped CeFe2 revealed by magnetization and transport study

(2010) Arabinda Haldar et al.   INTERMETALLICS

Density-functional expansion methods: Evaluation of LDA, GGA, and meta-GGA functionals and different integral approximations

(2010) Timothy J. Giese et al.   JOURNAL OF CHEMICAL PHYSICS

Lanthanide NIR luminescence for telecommunications, bioanalyses and solar energy conversion

(2010) Jean-Claude G. Bünzli et al.   JOURNAL OF RARE EARTHS

Oxidation Behaviour of Model Cobalt-Rhenium Alloys During Short-Term Exposure to Laboratory Air at Elevated Temperature

(2009) B. Gorr et al.   OXIDATION OF METALS

Distilling Free-Form Natural Laws from Experimental Data

(2009) Michael Schmidt et al.   SCIENCE