Autonomous materials synthesis via hierarchical active learning of nonequilibrium phase diagrams

Rapid Identification of Synthetic Routes to Functional Metastable Phases Using X-ray Probed Laser Anneal Mapping (XPLAM) Time–Temperature Quench Maps

(2021) Robert T. Bell et al.   CHEMISTRY OF MATERIALS

Improved protein structure prediction using potentials from deep learning

(2020) Andrew W. Senior et al.   NATURE

An Autonomous Chemical Robot Discovers the Rules of Inorganic Coordination Chemistry without Prior Knowledge

(2020) Luzian Porwol et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Autonomous discovery of optically active chiral inorganic perovskite nanocrystals through an intelligent cloud lab

(2020) Jiagen Li et al.   Nature Communications

A Bayesian experimental autonomous researcher for mechanical design

(2020) Aldair E. Gongora et al.   Science Advances

Self-driving laboratory for accelerated discovery of thin-film materials

(2020) B. P. MacLeod et al.   Science Advances

Artificial Chemist: An Autonomous Quantum Dot Synthesis Bot

(2020) Robert W. Epps et al.   ADVANCED MATERIALS

Robot-Accelerated Perovskite Investigation and Discovery

(2020) Zhi Li et al.   CHEMISTRY OF MATERIALS

Quantum machine learning using atom-in-molecule-based fragments selected on the fly

(2020) Bing Huang et al.   Nature Chemistry

On-the-fly closed-loop materials discovery via Bayesian active learning

(2020) A. Gilad Kusne et al.   Nature Communications

The machine learning revolution in materials?

(2019) Kristofer G. Reyes et al.   MRS BULLETIN

Accelerated Discovery of Large Electrostrains in BaTiO3 -Based Piezoelectrics Using Active Learning

(2018) Ruihao Yuan et al.   ADVANCED MATERIALS

Active learning machine learns to create new quantum experiments

(2018) Alexey A. Melnikov et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Experimental search for high-temperature ferroelectric perovskites guided by two-step machine learning

(2018) Prasanna V. Balachandran et al.   Nature Communications

Accelerating the discovery of materials for clean energy in the era of smart automation

(2018) Daniel P. Tabor et al.   Nature Reviews Materials

The 2018 Materials by Design Roadmap

(2018) Kirstin Alberi et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Metastable phase formation of Pt-X (X = Ir, Au) thin films

(2018) Aparna Saksena et al.   Scientific Reports

Solving the quantum many-body problem with artificial neural networks

(2017) Giuseppe Carleo et al.   SCIENCE

Julia: A Fresh Approach to Numerical Computing

(2017) Jeff Bezanson et al.   SIAM REVIEW

First-principles study of relative stability of rutile and anatase TiO2 using the random phase approximation

(2016) Zhi-Hao Cui et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Combining satellite imagery and machine learning to predict poverty

(2016) N. Jean et al.   SCIENCE

Accelerated search for materials with targeted properties by adaptive design

(2016) Dezhen Xue et al.   Nature Communications

Lateral Temperature-Gradient Method for High-Throughput Characterization of Material Processing by Millisecond Laser Annealing

(2016) Robert T. Bell et al.   ACS Combinatorial Science

Autonomy in materials research: a case study in carbon nanotube growth

(2016) Pavel Nikolaev et al.   npj Computational Materials

Materials Design On-the-Fly

(2015) Tiago F. T. Cerqueira et al.   Journal of Chemical Theory and Computation

The fast azimuthal integration Python library:pyFAI

(2015) Giannis Ashiotis et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

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

(2015) Scott Kirklin et al.   npj Computational Materials

Discovery of Wall-Selective Carbon Nanotube Growth Conditions via Automated Experimentation

(2014) Pavel Nikolaev et al.   ACS Nano

Amplify scientific discovery with artificial intelligence

(2014) Y. Gil et al.   SCIENCE

Rapid Identification of Areas of Interest in Thin Film Materials Libraries by Combining Electrical, Optical, X-ray Diffraction, and Mechanical High-Throughput Measurements: A Case Study for the System Ni–Al

(2014) S. Thienhaus et al.   ACS Combinatorial Science

Metastability of anatase: size dependent and irreversible anatase-rutile phase transition in atomic-level precise titania

(2013) Norifusa Satoh et al.   Scientific Reports

Anatase–rutile phase transformation of titanium dioxide bulk material: a DFT +Uapproach

(2012) Nam H Vu et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

On the convergence rates of Legendre approximation

(2011) Haiyong Wang et al.   MATHEMATICS OF COMPUTATION

An active role for machine learning in drug development

(2011) Robert F Murphy   Nature Chemical Biology

Scalable nanostructured membranes for solid-oxide fuel cells

(2011) Masaru Tsuchiya et al.   Nature Nanotechnology

Neutron total scattering study of the δ and β phases of Bi2O3

(2009) Stephen Hull et al.   DALTON TRANSACTIONS

Review on microfabricated micro-solid oxide fuel cell membranes

(2009) Anna Evans et al.   JOURNAL OF POWER SOURCES