Optimization of Material Composition of Li‐Intercalated Metal–Organic Framework Electrodes Using a Combination of Experiments and Machine Learning of X‐Ray Diffraction Patterns

Analyzing machine learning models to accelerate generation of fundamental materials insights

(2019) Mitsutaro Umehara et al.   npj Computational Materials

Toward Design of Novel Materials for Organic Electronics

(2019) Pascal Friederich et al.   ADVANCED MATERIALS

Multi-component background learning automates signal detection for spectroscopic data

(2019) Sebastian E. Ament et al.   npj Computational Materials

Machine Learning Interatomic Potentials as Emerging Tools for Materials Science

(2019) Volker L. Deringer et al.   ADVANCED MATERIALS

Phosphorescent Material Search Using a Combination of High-Throughput Evaluation and Machine Learning

(2019) Hirofumi Hazama et al.   INORGANIC CHEMISTRY

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

(2018) Ruihao Yuan et al.   ADVANCED MATERIALS

Not Just Par for the Course: 73 Quaternary Germanides RE4M2XGe4 (RE = La–Nd, Sm, Gd–Tm, Lu; M = Mn–Ni; X = Ag, Cd) and the Search for Intermetallics with Low Thermal Conductivity

(2018) Dong Zhang et al.   INORGANIC CHEMISTRY

Modeling of lithium plating induced aging of lithium-ion batteries: Transition from linear to nonlinear aging

(2017) Xiao-Guang Yang et al.   JOURNAL OF POWER SOURCES

On/off switchable electronic conduction in intercalated metal-organic frameworks

(2017) Nobuhiro Ogihara et al.   Science Advances

Design of efficient molecular organic light-emitting diodes by a high-throughput virtual screening and experimental approach

(2016) Rafael Gómez-Bombarelli et al.   NATURE MATERIALS

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

(2015) Atsuto Seko et al.   PHYSICAL REVIEW LETTERS

Organic Dicarboxylate Negative Electrode Materials with Remarkably Small Strain for High-Voltage Bipolar Batteries

(2014) Nobuhiro Ogihara et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Reformation of organic dicarboxylate electrode materials for rechargeable batteries by molecular self-assembly

(2014) Tomomi Yasuda et al.   CHEMICAL COMMUNICATIONS

A review of lithium deposition in lithium-ion and lithium metal secondary batteries

(2014) Zhe Li et al.   JOURNAL OF POWER SOURCES

Organic Li4C8H2O6 Nanosheets for Lithium-Ion Batteries

(2013) Shiwen Wang et al.   NANO LETTERS

Electrochemical characterization of lithium 4,4′-tolane-dicarboxylate for use as a negative electrode in Li-ion batteries

(2010) Wesley Walker et al.   JOURNAL OF MATERIALS CHEMISTRY

Nanostructures and lithium electrochemical reactivity of lithium titanites and titanium oxides: A review

(2009) Zhenguo Yang et al.   JOURNAL OF POWER SOURCES

Conjugated dicarboxylate anodes for Li-ion batteries

(2009) M. Armand et al.   NATURE MATERIALS