Nanoparticle synthesis assisted by machine learning

Two-step machine learning enables optimized nanoparticle synthesis

(2021) Flore Mekki-Berrada et al.   npj Computational Materials

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

(2020) Stefan Langner et al.   ADVANCED MATERIALS

Introduction: Nanoparticles in Catalysis

(2020) Didier Astruc   CHEMICAL REVIEWS

Improved protein structure prediction using potentials from deep learning

(2020) Andrew W. Senior et al.   NATURE

The unreasonable effectiveness of deep learning in artificial intelligence

(2020) Terrence J. Sejnowski   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Toward “On‐Demand” Materials Synthesis and Scientific Discovery through Intelligent Robots

(2020) Jiagen Li et al.   Advanced Science

A curious formulation robot enables the discovery of a novel protocell behavior

(2020) Jonathan Grizou et al.   Science Advances

Nanomaterial Synthesis Insights from Machine Learning of Scientific Articles by Extracting, Structuring, and Visualizing Knowledge

(2020) Anna M. Hiszpanski et al.   Journal of Chemical Information and Modeling

A deep learning system for differential diagnosis of skin diseases

(2020) Yuan Liu et al.   NATURE MEDICINE

A nanomaterials discovery robot for the Darwinian evolution of shape programmable gold nanoparticles

(2020) Daniel Salley et al.   Nature Communications

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

A mobile robotic chemist

(2020) Benjamin Burger et al.   NATURE

Interpretability of machine learning‐based prediction models in healthcare

(2020) Gregor Stiglic et al.   Wiley Interdisciplinary Reviews-Data Mining and Knowledge Discovery

Evidence for supercritical behaviour of high-pressure liquid hydrogen

(2020) Bingqing Cheng et al.   NATURE

A universal system for digitization and automatic execution of the chemical synthesis literature

(2020) S. Hessam M. Mehr et al.   SCIENCE

Explainability for artificial intelligence in healthcare: a multidisciplinary perspective

(2020) Julia Amann et al.   BMC Medical Informatics and Decision Making

Active learning in materials science with emphasis on adaptive sampling using uncertainties for targeted design

(2019) Turab Lookman et al.   npj Computational Materials

Metal Halide Perovskite Nanocrystals: Synthesis, Post-Synthesis Modifications, and Their Optical Properties

(2019) Javad Shamsi et al.   CHEMICAL REVIEWS

Machine Learning-Directed Navigation of Synthetic Design Space: A Statistical Learning Approach to Controlling the Synthesis of Perovskite Halide Nanoplatelets in the Quantum-Confined Regime

(2019) Erick J. Braham et al.   CHEMISTRY OF MATERIALS

Size-dependent photocatalytic activity of carbon dots with surface-state determined photoluminescence

(2019) Yiqun Zhou et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Machine Learning Accelerates Discovery of Optimal Colloidal Quantum Dot Synthesis

(2019) Oleksandr Voznyy et al.   ACS Nano

LaMer’s 1950 Model for Particle Formation of Instantaneous Nucleation and Diffusion-Controlled Growth: A Historical Look at the Model’s Origins, Assumptions, Equations, and Underlying Sulfur Sol Formation Kinetics Data

(2019) Christopher B. Whitehead et al.   CHEMISTRY OF MATERIALS

Deep learning enables rapid identification of potent DDR1 kinase inhibitors

(2019) Alex Zhavoronkov et al.   NATURE BIOTECHNOLOGY

Combined Extinction and Absorption UV–Visible Spectroscopy as a Method for Revealing Shape Imperfections of Metallic Nanoparticles

(2019) Johan Grand et al.   ANALYTICAL CHEMISTRY

Artificial neural network for predictive synthesis of single-walled carbon nanotubes by aerosol CVD method

(2019) Vsevolod Ya Iakovlev et al.   CARBON

Machine Learning for Tailoring Optoelectronic Properties of Single-Walled Carbon Nanotube Films

(2019) Eldar M. Khabushev et al.   Journal of Physical Chemistry Letters

Sustainable Synthesis Processes for Carbon Dots through Response Surface Methodology and Artificial Neural Network.

(2019) Yahaya Pudza et al.   Processes

A predictive model on size of silver nanoparticles prepared by green synthesis method using hybrid artificial neural network-particle swarm optimization algorithm

(2019) Amineh shafaei et al.   MEASUREMENT

Pick a Color MARIA: Adaptive Sampling Enables the Rapid Identification of Complex Perovskite Nanocrystal Compositions with Defined Emission Characteristics

(2018) Leonard Bezinge et al.   ACS Applied Materials & Interfaces

Biocompatible Semiconductor Quantum Dots as Cancer Imaging Agents

(2018) Kevin J. McHugh et al.   ADVANCED MATERIALS

Quantitative Identification of Basic Growth Channels for Formation of Monodisperse Nanocrystals

(2018) Jiongzhao Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

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

Artificial neural networks modeling of the parameterized gold nanoparticles generation through photo-induced process

(2018) Ana Maria Mihaela Gherman et al.   Materials Research Express

Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules

(2018) Rafael Gómez-Bombarelli et al.   ACS Central Science

Planning chemical syntheses with deep neural networks and symbolic AI

(2018) Marwin H. S. Segler et al.   NATURE

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

(2018) Benjamin Sanchez-Lengeling et al.   SCIENCE

Chimera: enabling hierarchy based multi-objective optimization for self-driving laboratories

(2018) Florian Häse et al.   Chemical Science

Wavelength-shifting properties of luminescence nanoparticles for high energy particle detection and specific physics process observation

(2018) Sunil Sahi et al.   Scientific Reports

Phoenics: A Bayesian Optimizer for Chemistry

(2018) Florian Häse et al.   ACS Central Science

Solvent-Mediated Shape Engineering of Fullerene (C60) Polyhedral Microcrystals

(2018) Shushu Zheng et al.   CHEMISTRY OF MATERIALS

AIR-Chem: Authentic Intelligent Robotics for Chemistry

(2018) Jiagen Li et al.   JOURNAL OF PHYSICAL CHEMISTRY A

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

(2018) Sebastian Steiner et al.   SCIENCE

Artificial neural network based particle size prediction of polymeric nanoparticles

(2017) John Youshia et al.   EUROPEAN JOURNAL OF PHARMACEUTICS AND BIOPHARMACEUTICS

Size, Loading Efficiency, and Cytotoxicity of Albumin-Loaded Chitosan Nanoparticles: An Artificial Neural Networks Study

(2017) Hadi Baharifar et al.   JOURNAL OF PHARMACEUTICAL SCIENCES

Mastering the game of Go without human knowledge

(2017) David Silver et al.   NATURE

Metal halide perovskite nanomaterials: synthesis and applications

(2017) Son-Tung Ha et al.   Chemical Science

ANI-1: an extensible neural network potential with DFT accuracy at force field computational cost

(2017) J. S. Smith et al.   Chemical Science

Virtual screening of inorganic materials synthesis parameters with deep learning

(2017) Edward Kim et al.   npj Computational Materials

Synthesis of Semiconductor Nanocrystals, Focusing on Nontoxic and Earth-Abundant Materials

(2016) Peter Reiss et al.   CHEMICAL REVIEWS

Chitosan-tripolyphosphate nanoparticles: Optimization of formulation parameters for improving process yield at a novel pH using artificial neural networks

(2016) Rania A. Hashad et al.   INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES

Machine-learning-assisted materials discovery using failed experiments

(2016) Paul Raccuglia et al.   NATURE

On-surface synthesis of graphene nanoribbons with zigzag edge topology

(2016) Pascal Ruffieux et al.   NATURE

Taking the Human Out of the Loop: A Review of Bayesian Optimization

(2016) Bobak Shahriari et al.   PROCEEDINGS OF THE IEEE

The nature and implications of uniformity in the hierarchical organization of nanomaterials

(2016) Matthew N. O’Brien et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

High Efficiency Organic Solar Cells Achieved by the Simultaneous Plasmon-Optical and Plasmon-Electrical Effects from Plasmonic Asymmetric Modes of Gold Nanostars

(2016) Xingang Ren et al.   Small

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

(2016) Pavel Nikolaev et al.   npj Computational Materials

Preparation of agar nanospheres: Comparison of response surface and artificial neural network modeling by a genetic algorithm approach

(2015) Mohammad Reza Zaki et al.   CARBOHYDRATE POLYMERS

Combinatorial approaches for developing upconverting nanomaterials: high-throughput screening, modeling, and applications

(2015) Emory M. Chan   CHEMICAL SOCIETY REVIEWS

Selective Growth of a C70 Crystal in a Mixed Solvent System: From Cube to Tube

(2015) Jungah Kim et al.   CHEMISTRY OF MATERIALS

The Heat-Up Synthesis of Colloidal Nanocrystals

(2015) Joel van Embden et al.   CHEMISTRY OF MATERIALS

Fundamental growth principles of colloidal metal nanoparticles – a new perspective

(2015) Jörg Polte   CRYSTENGCOMM

Synthetic Conditions for High-Accuracy Size Control of PbS Quantum Dots

(2015) Jianbing Zhang et al.   Journal of Physical Chemistry Letters

Photoluminescent carbon nanodots: synthesis, physicochemical properties and analytical applications

(2015) Prathik Roy et al.   Materials Today

High-Efficiency Colloidal Quantum Dot Photovoltaics via Robust Self-Assembled Monolayers

(2015) Gi-Hwan Kim et al.   NANO LETTERS

The photoluminescence mechanism in carbon dots (graphene quantum dots, carbon nanodots, and polymer dots): current state and future perspective

(2015) Shoujun Zhu et al.   Nano Research

Deep learning

(2015) Yann LeCun et al.   NATURE

BindingDB in 2015: A public database for medicinal chemistry, computational chemistry and systems pharmacology

(2015) Michael K. Gilson et al.   NUCLEIC ACIDS RESEARCH

Low trap-state density and long carrier diffusion in organolead trihalide perovskite single crystals

(2015) D. Shi et al.   SCIENCE

Modern Applications of Plasmonic Nanoparticles: From Energy to Health

(2015) Dorleta Jimenez de Aberasturi et al.   Advanced Optical Materials

Online detection and automation methods in microfluidic nanomaterial synthesis

(2015) Richard M Maceiczyk et al.   Current Opinion in Chemical Engineering

Toward Design of Synergistically Active Carbon-Based Catalysts for Electrocatalytic Hydrogen Evolution

(2014) Yao Zheng et al.   ACS Nano

A Universal Approach to Crosslinked Hierarchical Polymer Multilayers as Stable and Highly Effective Antifouling Coatings

(2014) Qiang Wei et al.   ADVANCED MATERIALS

PDB-wide collection of binding data: current status of the PDBbind database

(2014) Zhihai Liu et al.   BIOINFORMATICS

Self-assembled plasmonic nanostructures

(2014) Anna Klinkova et al.   CHEMICAL SOCIETY REVIEWS

Fast and Reliable Metamodeling of Complex Reaction Spaces Using Universal Kriging

(2014) Richard M. Maceiczyk et al.   Journal of Physical Chemistry C

Shaken, and stirred: oscillatory segmented flow for controlled size-evolution of colloidal nanomaterials

(2014) Milad Abolhasani et al.   LAB ON A CHIP

Functional Surface Engineering of C-Dots for Fluorescent Biosensing and in Vivo Bioimaging

(2013) Changqin Ding et al.   ACCOUNTS OF CHEMICAL RESEARCH

Using Graphene Quantum Dots as Photoluminescent Probes for Protein Kinase Sensing

(2013) Ying Wang et al.   ANALYTICAL CHEMISTRY

Self-Assembly of Amphiphilic Plasmonic Micelle-Like Nanoparticles in Selective Solvents

(2013) Jie He et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Localized surface plasmon resonance: a unique property of plasmonic nanoparticles for nucleic acid detection

(2013) Kah Ee Fong et al.   Nanoscale

Sequential deposition as a route to high-performance perovskite-sensitized solar cells

(2013) Julian Burschka et al.   NATURE

Fluorescent Carbon Nanoparticles in Medicine for Cancer Therapy

(2013) Vinit Kumar et al.   ACS Medicinal Chemistry Letters

Carbon Nanoparticle-based Fluorescent Bioimaging Probes

(2013) Susanta Kumar Bhunia et al.   Scientific Reports

A review on radiation-induced nucleation and growth of colloidal metallic nanoparticles

(2013) Alam Abedini et al.   Nanoscale Research Letters

Solar Vapor Generation Enabled by Nanoparticles

(2012) Oara Neumann et al.   ACS Nano

State of the art in gold nanoparticle synthesis

(2012) Pengxiang Zhao et al.   COORDINATION CHEMISTRY REVIEWS

Size dependent thermal conductivity of single-walled carbon nanotubes

(2012) Ajing Cao et al.   JOURNAL OF APPLIED PHYSICS

Application of Artificial Neural Networks to Rapid Data Analysis in Combinatorial Nanoparticle Syntheses

(2012) Yuuichi Orimoto et al.   Journal of Physical Chemistry C

A Generic Method for Rational Scalable Synthesis of Monodisperse Metal Sulfide Nanocrystals

(2012) Haitao Zhang et al.   NANO LETTERS

Effects of processing parameters on particle size of ultrasound prepared chitosan nanoparticles: An Artificial Neural Networks Study

(2012) Elina Esmaeilzadeh-Gharedaghi et al.   PHARMACEUTICAL DEVELOPMENT AND TECHNOLOGY

Terminology for biorelated polymers and applications (IUPAC Recommendations 2012)

(2012) Michel Vert et al.   PURE AND APPLIED CHEMISTRY

Localized surface plasmon resonance: Nanostructures, bioassays and biosensing—A review

(2011) Eleonora Petryayeva et al.   ANALYTICA CHIMICA ACTA

Microwave-Assisted Synthesis of Colloidal Inorganic Nanocrystals

(2011) Mostafa Baghbanzadeh et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Controlling the Synthesis and Assembly of Silver Nanostructures for Plasmonic Applications

(2011) Matthew Rycenga et al.   CHEMICAL REVIEWS

Localized Surface Plasmon Resonance Sensors

(2011) Kathryn M. Mayer et al.   CHEMICAL REVIEWS

Solution phase synthesis of carbon quantum dots as sensitizers for nanocrystalline TiO2solar cells

(2011) Peter Mirtchev et al.   JOURNAL OF MATERIALS CHEMISTRY

In Situ Characterization of Alloy Catalysts for Low-Temperature Graphene Growth

(2011) Robert S. Weatherup et al.   NANO LETTERS

Graphene based materials: Past, present and future

(2011) Virendra Singh et al.   PROGRESS IN MATERIALS SCIENCE

Formation Mechanisms of Uniform Nanocrystals via Hot-Injection and Heat-Up Methods

(2011) Soon Gu Kwon et al.   Small

Engineering Carbon Materials from the Hydrothermal Carbonization Process of Biomass

(2010) Bo Hu et al.   ADVANCED MATERIALS

Near-infrared quantum dots for deep tissue imaging

(2010) Ravindran Girija Aswathy et al.   ANALYTICAL AND BIOANALYTICAL CHEMISTRY

One-step ultrasonic synthesis of water-soluble carbon nanoparticles with excellent photoluminescent properties

(2010) Haitao Li et al.   CARBON

Abandoning Objectives: Evolution Through the Search for Novelty Alone

(2010) Joel Lehman et al.   EVOLUTIONARY COMPUTATION

Combinatorial Synthesis of CdSe Nanoparticles Using Microreactors

(2010) Ayumi Toyota et al.   Journal of Physical Chemistry C

Quantized Ostwald Ripening of Colloidal Nanoparticles

(2010) Pinar Dagtepe et al.   Journal of Physical Chemistry C

Reproducible, High-Throughput Synthesis of Colloidal Nanocrystals for Optimization in Multidimensional Parameter Space

(2010) Emory M. Chan et al.   NANO LETTERS

Graphene Oxide, Highly Reduced Graphene Oxide, and Graphene: Versatile Building Blocks for Carbon-Based Materials

(2010) Owen C. Compton et al.   Small

Microwave synthesis of fluorescent carbon nanoparticles with electrochemiluminescence properties

(2009) Hui Zhu et al.   CHEMICAL COMMUNICATIONS

Properties and emerging applications of self-assembled structures made from inorganic nanoparticles

(2009) Zhihong Nie et al.   Nature Nanotechnology

Solution-Processed Quantum Dot Photodetectors

(2009) Gerasimos Konstantatos et al.   PROCEEDINGS OF THE IEEE

Core/Shell Semiconductor Nanocrystals

(2009) Peter Reiss et al.   Small

SNOBFIT -- Stable Noisy Optimization by Branch and Fit

(2008) Waltraud Huyer et al.   ACM TRANSACTIONS ON MATHEMATICAL SOFTWARE

Shape control in gold nanoparticle synthesis

(2008) Marek Grzelczak et al.   CHEMICAL SOCIETY REVIEWS

Methods for the Preparation and Manufacture of Polymeric Nanoparticles

(2008) Christine Vauthier et al.   PHARMACEUTICAL RESEARCH