Digital Transformation in Materials Science: A Paradigm Change in Material's Development

Beyond Ternary OPV: High‐Throughput Experimentation and Self‐Driving Laboratories Optimize Multicomponent Systems

(2020) Stefan Langner et al.   ADVANCED MATERIALS

A Critical Review of Machine Learning of Energy Materials

(2020) Chi Chen et al.   Advanced Energy Materials

Automated radial synthesis of organic molecules

(2020) Sourav Chatterjee et al.   NATURE

Synthesis of proteins by automated flow chemistry

(2020) N. Hartrampf et al.   SCIENCE

Big-Data Science in Porous Materials: Materials Genomics and Machine Learning

(2020) Kevin Maik Jablonka et al.   CHEMICAL REVIEWS

A mobile robotic chemist

(2020) Benjamin Burger et al.   NATURE

Fast-Track to Research Data Management in Experimental Material Science–Setting the Ground for Research Group Level Materials Digitalization

(2020) Lars Banko et al.   ACS Combinatorial Science

Machine learning for continuous innovation in battery technologies

(2020) Muratahan Aykol et al.   Nature Reviews Materials

Automated Polymer Purification Using Dialysis

(2020) Timo Schuett et al.   Polymers

Deep learning and process understanding for data-driven Earth system science

(2019) Markus Reichstein et al.   NATURE

High-Performance Materials for 3D Printing in Chemical Synthesis Applications

(2019) Frederik Kotz et al.   ADVANCED MATERIALS

High-throughput solid solution strengthening characterization in high entropy alloys

(2019) Francisco Gil Coury et al.   ACTA MATERIALIA

Exploiting machine learning for end-to-end drug discovery and development

(2019) Sean Ekins et al.   NATURE MATERIALS

Challenges and opportunities of polymer design with machine learning and high throughput experimentation

(2019) Jatin N. Kumar et al.   MRS Communications

3D Printing of Salt as a Template for Magnesium with Structured Porosity

(2019) Nicole Kleger et al.   ADVANCED MATERIALS

NFDI4Chem: Shaping a Digital and Cultural Change in Chemistry

(2019) Sonja Herres-Pawlis et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Completing the picture through correlative characterization

(2019) T. L. Burnett et al.   NATURE MATERIALS

3D bioprinting of collagen to rebuild components of the human heart

(2019) A. Lee et al.   SCIENCE

Embedding domain knowledge for machine learning of complex material systems

(2019) Christopher M. Childs et al.   MRS Communications

A robotic platform for flow synthesis of organic compounds informed by AI planning

(2019) Connor W. Coley et al.   SCIENCE

High-Throughput Synthesis, Analysis, and Optimization of Injectable Hydrogels for Protein Delivery

(2019) Fei Xu et al.   BIOMACROMOLECULES

Three-dimensional printing of multicomponent glasses using phase-separating resins

(2019) David G. Moore et al.   NATURE MATERIALS

Can machine learning find extraordinary materials?

(2019) Steven K. Kauwe et al.   COMPUTATIONAL MATERIALS SCIENCE

Quantum Machine Learning in Chemical Compound Space

(2018) O. Anatole von Lilienfeld   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Additive manufacturing (3D printing): A review of materials, methods, applications and challenges

(2018) Tuan D. Ngo et al.   COMPOSITES PART B-ENGINEERING

Accelerated discovery of metallic glasses through iteration of machine learning and high-throughput experiments

(2018) Fang Ren et al.   Science Advances

Metallic Metal–Organic Frameworks Predicted by the Combination of Machine Learning Methods and Ab Initio Calculations

(2018) Yuping He et al.   Journal of Physical Chemistry Letters

Controlling an organic synthesis robot with machine learning to search for new reactivity

(2018) Jarosław M. Granda et al.   NATURE

Machine learning for molecular and materials science

(2018) Keith T. Butler et al.   NATURE

“Green” ethers as solvent alternatives for anionic ring-opening polymerizations of ethylene oxide (EO): In-situ kinetic and advanced characterization studies

(2018) Tobias C. Majdanski et al.   POLYMER

Inverse molecular design using machine learning: Generative models for matter engineering

(2018) Benjamin Sanchez-Lengeling et al.   SCIENCE

Bioinspired hierarchical composite design using machine learning: simulation, additive manufacturing, and experiment

(2018) Grace X. Gu et al.   Materials Horizons

High-Throughput Screening of Metal–Organic Frameworks for Macroscale Heteroepitaxial Alignment

(2018) Andrew Tarzia et al.   ACS Applied Materials & Interfaces

Precise Polymer Synthesis by Autonomous Self-Optimizing Flow Reactors

(2018) Maarten Rubens et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Dynamic Workflows for Routine Materials Discovery in Surface Science

(2018) Kevin Tran et al.   Journal of Chemical Information and Modeling

Living in the Fast Lane—High Throughput Controlled/Living Radical Polymerization

(2018) Susan Oliver et al.   MACROMOLECULES

High-performance medicine: the convergence of human and artificial intelligence

(2018) Eric J. Topol   NATURE MEDICINE

Identifying facial phenotypes of genetic disorders using deep learning

(2018) Yaron Gurovich et al.   NATURE MEDICINE

Organic synthesis in a modular robotic system driven by a chemical programming language

(2018) Sebastian Steiner et al.   SCIENCE

Predictive multiphase evolution in Al-containing high-entropy alloys

(2018) L. J. Santodonato et al.   Nature Communications

Molecular dynamics simulations and novel drug discovery

(2017) Xuewei Liu et al.   Expert Opinion on Drug Discovery

Exploring the Stability of Novel Wide Bandgap Perovskites by a Robot Based High Throughput Approach

(2017) Shi Chen et al.   Advanced Energy Materials

A Review of Multiscale Computational Methods in Polymeric Materials

(2017) Ali Gooneie et al.   Polymers

Automated assembly of species metabolomes through data submission into a public repository

(2017) Reza M. Salek et al.   GigaScience

A review of 4D printing

(2017) Farhang Momeni et al.   MATERIALS & DESIGN

IBM Watson: How Cognitive Computing Can Be Applied to Big Data Challenges in Life Sciences Research

(2016) Ying Chen et al.   CLINICAL THERAPEUTICS

Can artificial intelligence create the next wonder material?

(2016) Nicola Nosengo   NATURE

Machine-learning-assisted materials discovery using failed experiments

(2016) Paul Raccuglia et al.   NATURE

Boosting materials modelling

(2016)   NATURE MATERIALS

The evolution of ‘sol–gel’ chemistry as a technique for materials synthesis

(2016) A. E. Danks et al.   Materials Horizons

The FAIR Guiding Principles for scientific data management and stewardship

(2016) Mark D. Wilkinson et al.   Scientific Data

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

(2016) Logan Ward et al.   npj Computational Materials

Multimaterial 4D Printing with Tailorable Shape Memory Polymers

(2016) Qi Ge et al.   Scientific Reports

A self optimizing synthetic organic reactor system using real-time in-line NMR spectroscopy

(2015) Victor Sans et al.   Chemical Science

Remarks on the recent progress of Materials Genome Initiative

(2015) Xiao-Gang Lu   Science Bulletin

“Polymeromics”: Mass spectrometry based strategies in polymer science toward complete sequencing approaches: A review

(2013) Esra Altuntaş et al.   ANALYTICA CHIMICA ACTA

Salt melt synthesis of ceramics, semiconductors and carbon nanostructures

(2013) Xiaofeng Liu et al.   CHEMICAL SOCIETY REVIEWS

The big challenges of big data

(2013) Vivien Marx   NATURE

The past, present and potential for microfluidic reactor technology in chemical synthesis

(2013) Katherine S. Elvira et al.   Nature Chemistry

Compound fabrication: A multi-functional robotic platform for digital design and fabrication

(2013) Steven Keating et al.   ROBOTICS AND COMPUTER-INTEGRATED MANUFACTURING

Quantitative Structure–Property Relationship Modeling of Diverse Materials Properties

(2012) Tu Le et al.   CHEMICAL REVIEWS

Challenges and Opportunities of Open Data in Ecology

(2011) O. J. Reichman et al.   SCIENCE

Fighting Publication Bias: Introducing the Negative Results Section

(2010) Ulrich Dirnagl et al.   JOURNAL OF CEREBRAL BLOOD FLOW AND METABOLISM

Continuous flow multi-step organic synthesis

(2010) Damien Webb et al.   Chemical Science

High-Throughput Synthesis and Characterization of Bulk Ceramics from Dry Powders

(2008) Tobias A. Stegk et al.   JOURNAL OF COMBINATORIAL CHEMISTRY