Machine learning formation enthalpies of intermetallics

Intermetallic Phases in High-Entropy Alloys: Statistical Analysis of their Prevalence and Structural Inheritance

(2019) Ming-Hung Tsai et al.   Metals

Screening billions of candidates for solid lithium-ion conductors: A transfer learning approach for small data

(2019) Ekin D. Cubuk et al.   JOURNAL OF CHEMICAL PHYSICS

Ordered Intermetallic Pd3Bi Prepared by an Electrochemically Induced Phase Transformation for Oxygen Reduction Electrocatalysis

(2019) Du Sun et al.   ACS Nano

Predicting Materials Properties with Little Data Using Shotgun Transfer Learning

(2019) Hironao Yamada et al.   ACS Central Science

Enhancing materials property prediction by leveraging computational and experimental data using deep transfer learning

(2019) Dipendra Jha et al.   Nature Communications

Correlation Coefficients

(2018) Patrick Schober et al.   ANESTHESIA AND ANALGESIA

Intermetallics in catalysis: An exciting subset of multimetallic catalysts

(2018) Anish Dasgupta et al.   CATALYSIS TODAY

Designing and Discovering a New Family of Semiconducting Quaternary Heusler Compounds Based on the 18-Electron Rule

(2018) Jiangang He et al.   CHEMISTRY OF MATERIALS

Matminer: An open source toolkit for materials data mining

(2018) Logan Ward et al.   COMPUTATIONAL MATERIALS SCIENCE

Predicting the stability of ternary intermetallics with density functional theory and machine learning

(2018) Jonathan Schmidt et al.   JOURNAL OF CHEMICAL PHYSICS

Crystal Graph Convolutional Neural Networks for an Accurate and Interpretable Prediction of Material Properties

(2018) Tian Xie et al.   PHYSICAL REVIEW LETTERS

A Transfer Learning Approach for Microstructure Reconstruction and Structure-property Predictions

(2018) Xiaolin Li et al.   Scientific Reports

ElemNet: Deep Learning the Chemistry of Materials From Only Elemental Composition

(2018) Dipendra Jha et al.   Scientific Reports

Machine-learning-accelerated high-throughput materials screening: Discovery of novel quaternary Heusler compounds

(2018) Kyoungdoc Kim et al.   PHYSICAL REVIEW MATERIALS

Towards efficient data exchange and sharing for big-data driven materials science: metadata and data formats

(2017) Luca M. Ghiringhelli et al.   npj Computational Materials

Machine learning in materials informatics: recent applications and prospects

(2017) Rampi Ramprasad et al.   npj Computational Materials

Ductile CoCrFeNiMo x high entropy alloys strengthened by hard intermetallic phases

(2016) W.H. Liu et al.   ACTA MATERIALIA

Accelerated search for BaTiO3-based piezoelectrics with vertical morphotropic phase boundary using Bayesian learning

(2016) Dezhen Xue et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Accelerated search for materials with targeted properties by adaptive design

(2016) Dezhen Xue et al.   Nature Communications

A general-purpose machine learning framework for predicting properties of inorganic materials

(2016) Logan Ward et al.   npj Computational Materials

The Materials Application Programming Interface (API): A simple, flexible and efficient API for materials data based on REpresentational State Transfer (REST) principles

(2015) Shyue Ping Ong et al.   COMPUTATIONAL MATERIALS SCIENCE

First principles phonon calculations in materials science

(2015) Atsushi Togo et al.   SCRIPTA MATERIALIA

Applications of Ni3Al Based Intermetallic Alloys—Current Stage and Potential Perceptivities

(2015) Pawel Jozwik et al.   Materials

Criteria for Predicting the Formation of Single-Phase High-Entropy Alloys

(2015) M. Claudia Troparevsky et al.   Physical Review X

The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies

(2015) Scott Kirklin et al.   npj Computational Materials

Some Statistics on Intermetallic Compounds

(2014) Julia Dshemuchadse et al.   INORGANIC CHEMISTRY

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

(2013) Anubhav Jain et al.   APL Materials

AFLOW: An automatic framework for high-throughput materials discovery

(2012) Stefano Curtarolo et al.   COMPUTATIONAL MATERIALS SCIENCE

A high-throughput infrastructure for density functional theory calculations

(2011) Anubhav Jain et al.   COMPUTATIONAL MATERIALS SCIENCE

Intermetallic phase transformations in Au–Al wire bonds

(2011) H. Xu et al.   INTERMETALLICS

Formation enthalpies by mixing GGA and GGA+Ucalculations

(2011) Anubhav Jain et al.   PHYSICAL REVIEW B

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

(2010) Geoffroy Hautier et al.   CHEMISTRY OF MATERIALS

Data Mined Ionic Substitutions for the Discovery of New Compounds

(2010) Geoffroy Hautier et al.   INORGANIC CHEMISTRY

Strengthening Mechanisms in Polycrystalline Multimodal Nickel-Base Superalloys

(2009) R.W. Kozar et al.   METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE

Microtwinning and other shearing mechanisms at intermediate temperatures in Ni-based superalloys

(2009) L. Kovarik et al.   PROGRESS IN MATERIALS SCIENCE