Progress in nanoinformatics and informational materials science

Compositional descriptor-based recommender system for the materials discovery

(2018) Atsuto Seko et al.   JOURNAL OF CHEMICAL PHYSICS

Linearized machine-learning interatomic potentials for non-magnetic elemental metals: Limitation of pairwise descriptors and trend of predictive power

(2018) Akira Takahashi et al.   JOURNAL OF CHEMICAL PHYSICS

Matrix- and tensor-based recommender systems for the discovery of currently unknown inorganic compounds

(2018) Atsuto Seko et al.   PHYSICAL REVIEW MATERIALS

Transfer Learning to Accelerate Interface Structure Searches

(2017) Hiromi Oda et al.   JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN

Unmixing hyperspectral data by using signal subspace sampling

(2017) Jakob Spiegelberg et al.   ULTRAMICROSCOPY

Conceptual and practical bases for the high accuracy of machine learning interatomic potentials: Application to elemental titanium

(2017) Akira Takahashi et al.   PHYSICAL REVIEW MATERIALS

Microstructural informatics for accelerating the discovery of processing–microstructure–property relationships

(2016) Olga Wodo et al.   MRS BULLETIN

Sparse modeling of EELS and EDX spectral imaging data by nonnegative matrix factorization

(2016) Motoki Shiga et al.   ULTRAMICROSCOPY

Magnetic measurements with atomic-plane resolution

(2016) Ján Rusz et al.   Nature Communications

Prediction of interface structures and energies via virtual screening

(2016) S. Kiyohara et al.   Science Advances

Materials Informatics: The Materials “Gene” and Big Data

(2015) Krishna Rajan   Annual Review of Materials Research

Structured Data Fusion

(2015) Laurent Sorber et al.   IEEE Journal of Selected Topics in Signal Processing

First-principles interatomic potentials for ten elemental metals via compressed sensing

(2015) Atsuto Seko et al.   PHYSICAL REVIEW B

Prediction of Low-Thermal-Conductivity Compounds with First-Principles Anharmonic Lattice-Dynamics Calculations and Bayesian Optimization

(2015) Atsuto Seko et al.   PHYSICAL REVIEW LETTERS

An informatics based analysis of the impact of isotope substitution on phonon modes in graphene

(2014) Scott Broderick et al.   APPLIED PHYSICS LETTERS

Informatics guided discovery of surface structure-chemistry relationships in catalytic nanoparticles

(2014) Antonis N. Andriotis et al.   JOURNAL OF CHEMICAL PHYSICS

Machine learning with systematic density-functional theory calculations: Application to melting temperatures of single- and binary-component solids

(2014) Atsuto Seko et al.   PHYSICAL REVIEW B

Sparse representation for a potential energy surface

(2014) Atsuto Seko et al.   PHYSICAL REVIEW B

Degradation analysis of a Ni-based layered positive-electrode active material cycled at elevated temperatures studied by scanning transmission electron microscopy and electron energy-loss spectroscopy

(2011) Y. Kojima et al.   JOURNAL OF POWER SOURCES

Identifying the 'inorganic gene' for high-temperature piezoelectric perovskites through statistical learning

(2011) P. V. Balachandran et al.   PROCEEDINGS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

Gaussian Approximation Potentials: The Accuracy of Quantum Mechanics, without the Electrons

(2010) Albert P. Bartók et al.   PHYSICAL REVIEW LETTERS