Matter
|
OPEN access
|
7.26.2021

Autonomous experimentation systems for materials development: A community perspective

Humans and robots have begun to partner to advance science and technology orders of magnitude faster than humans do today through the development and exploitation of closed-loop, autonomous experimentation systems. This review discusses the specific challenges and opportunities related to materials discovery and development that will emerge from this new paradigm.

READ MORE
arrow-right
Authors
Eric Stach et al.
AC Members
Jason Hattrick-Simpers, Keith A. Brown, Kristofer G. Reyes, Joshua Schrier, Tonio Buonassisi, John M. Gregoire, Benji Maruyama
Filter
Chemical Engineering Science
|
Closed access
|
1.16.22

Multi-objective Bayesian optimisation of a two-step synthesis of p-cymene from crude sulphate turpentine

Authors
Perman Jorayev et al.
AC Members
Alexei Lapkin
Tags

materials

Analytical Chemistry
|
Closed access
|
11.23.21

UV-adVISor: Attention-Based Recurrent Neural Networks to Predict UV–Vis Spectra

Authors
Fabio Urbina et al.
AC Members
Peter Madrid
Tags

Drugs, Artificial Intelligence, Automation

npj computational materials
|
Open access
|
11.18.21

Benchmarking the performance of Bayesian optimization across multiple experimental materials science domains

Authors
Qiaohao Liang et al.
AC Members
Keith A. Brown
Tags

green products, transportation or construction, artificial intelligence, automation

Nature Catalysis
|
Closed access
|
11.18.21

Ternary ruthenium complex hydrides for ammonia synthesis via the associative mechanism

Authors
Qianru Wang et al.
AC Members
Tejs Vegge
Tags

green products

Joule
|
Closed access
|
11.17.21

Machine learning for high-throughput experimental exploration of metal halide perovskites

Authors
Mahshid Ahmadi et al.
AC Members
Sergei V. Kalinin
Tags

energy, Artificial Intelligence

npj computational materials
|
Open access
|
11.15.21

Atomistic Line Graph Neural Network for improved materials property predictions

Authors
Kamal Choudhary et al.
AC Members
Kamal Choudhary
Tags

artificial intelligence

Applied Physics Reviews
|
Closed access
|
11.15.21

Modern nanoscience: Convergence of AI, robotics, and colloidal synthesis

Authors
Robert W. Epps
AC Members
Milad Abolhasani
Tags

green products, energy, artificial intelligence, automation

ACS Central Sci
|
Closed access
|
11.11.21

Discovering New Chemistry with an Autonomous Robotic Platform Driven by a Reactivity-Seeking Neural Network

Authors
Dario Caramelli et al.
AC Members
Leroy (Lee) Cronin
Tags

artificial intelligence, automation

Chem
|
Closed access
|
11.11.21

Transition to sustainable chemistry through digitalization

Authors
Peter Fantke et al.
AC Members
Alexei Lapkin
Tags

artificial intelligence, automation, green products

ACS Polymers
|
Open access
|
11.1.21

Strategies for the Development of Conjugated Polymer Molecular Dynamics Force Fields Validated with Neutron and X-ray Scattering

Authors
Caitlyn M. Wolf et al.
AC Members
Lilo D. Pozzo
Tags

artificial intelligence, automation, energy

Arxiv
|
Open access
|
10.28.21

Recent Advances and Applications of Deep Learning Methods in Materials Science

Authors
Kamal Choudhary et al.
AC Members
Kamal Choudhary
Tags

Artificial Intelligence

Chemical Science
|
Open access
|
10.27.21

Automation isn't automatic

Authors
Melodie Christensen et al.
AC Members
Jason Hein
Tags

automation, drugs

Science
|
Closed access
|
10.14.21

Univariate classification of phosphine ligation state and reactivity in cross-coupling catalysis

Authors
Samuel H. Newman-Stonebraker et al.
AC Members
Abigail Doyle
Tags

drugs

Chem
|
Closed access
|
10.14.21

Universal self-driving laboratory for accelerated discovery of materials and molecules

Authors
Robert W. Epps et al.
AC Members
Milad Abolhasani
Tags

green products, energy, Artificial Intelligence, automation

JACS
|
Open access
|
10.13.21

Using Machine Learning and Data Mining to Leverage Community Knowledge for the Engineering of Stable Metal–Organic Frameworks

Authors
Aditya Nandy et al.
AC Members
Heather J. Kulik
Tags

energy, Artificial Intelligence

arXiv Computer Science
|
Open access
|
10.12.21

Amortized Tree Generation for Bottom-up Synthesis Planning and Synthesizable Molecular Design

Authors
Wenhao Gao et al.
AC Members
Connor W. Coley
Tags

healthcare, drugs, artificial intelligence, automation

JACS
|
Open access
|
10.12.21

Machine-Learning-Guided Discovery of 19F MRI Agents Enabled by Automated Copolymer Synthesis

Authors
Marcus Reis et al.
AC Members
Olexandr Isayev
Tags

automation, Artificial Intelligence

Chemical Science
|
Open access
|
10.11.21

Golem: an algorithm for robust experiment and process optimization

Authors
Matteo Aldeghi et al.
AC Members
Isaac Tamblyn
Tags

artificial intelligence, automation

npj computational materials
|
Open access
|
10.1.21

Advanced machine learning decision policies for diameter control of carbon nanotubes

Authors
Rahul Rao et al.
AC Members
Kristofer Reyes
Tags

artificial intelligence

Robot Vision & Learning Lab
|
Open access
|
10.1.21

Learning to Search in Task and Motion Planning with Streams

Authors
Mohamed Khodeir et al.
AC Members
Florian Shkurti
Tags

artificial intelligence, automation

arXiv Computer Science
|
Open access
|
9.30.21

Seeing Glass: Joint Point Cloud and Depth Completion for Transparent Objects

Authors
Haoping Xu et al.
AC Members
Animesh Garg, Alán Aspuru-Guzik, Florian Shkurti
Tags

artificial intelligence, automation

Microbial Cell Factories
|
Open access
|
9.23.21

Automation assisted anaerobic phenotyping for metabolic engineering

Authors
Kaushik Raj et al.
AC Members
Krishna Mahadevan
Tags

healthcare, automation, other

Particle & Particle Systems Characterization
|
Open access
|
9.22.21

High-Throughput Robotic Synthesis and Photoluminescence Characterization of Aqueous Multinary Copper–Silver Indium Chalcogenide Quantum Dots

Authors
Oleksandr Stroyuk et al.
AC Members
Christoph Brabec
Tags

artificial intelligence, automation, energy

Science
|
Closed access
|
9.16.21

A priori control of zeolite phase competition and intergrowth with high-throughput simulations

Authors
Daniel Schwalbe-Koda et al.
AC Members
Rafael Gomez-Bombarelli
Tags

energy

Nature Machine Intelligence
|
Closed access
|
9.16.21

Automating crystal-structure phase mapping by combining deep learning with constraint reasoning

Authors
Di Chen et al.
AC Members
John M. Gregoire
Tags

artificial intelligence, automation, energy

Advanced Intelligent Systems
|
Open access
|
9.16.21

Extrapolative Bayesian Optimization with Gaussian Process and Neural Network Ensemble Surrogate Models

Authors
Yee-Fun Lim et al.
AC Members
Kedar Hippalgaonkar
Tags

electronics, energy, artificial intelligence, automation

Condensed Matter Materials Science
|
Open
|
9.16.21

MOFSimplify: Machine Learning Models with Extracted Stability Data of Three Thousand Metal-Organic Frameworks

Authors
Aditya Nandy et al.
AC Members
Heather J. Kulik
Tags

artificial intelligence, energy

Arxiv
|
Open access
|
9.15.21

Federated Learning of Molecular Properties in a Heterogeneous Setting

Authors
Wei Zhu et al.
AC Members
Andrew White
Tags

artificial intelligence

Advanced Functional Materials
|
Closed access
|
9.15.21

Self-Driving Platform for Metal Nanoparticle Synthesis: Combining Microfluidics and Machine Learning

Authors
Huachen Tao et al.
AC Members
Eugenia Kumacheva
Tags

drugs

Chemrxiv
|
Open access
|
9.14.21

3D Printed Reactors and Kessil Lamp Holders for Flow Photochemistry: Design and System Standardization

Authors
Matthew R. Penny et al.
AC Members
Stephen Hilton
Tags

hardware

PNAS
|
Open access
|
9.14.21

Discovery of complex oxides via automated experiments and data science

Authors
Lusann Yang et al.
AC Members
John M. Gregoire
Tags

artificial intelligence, automation, energy

Nature communications
|
Open access
|
9.14.21

Quantum state tomography of molecules by ultrafast diffraction

Authors
Ming Zhang et al.
AC Members
R. J. Dwayne Miller
Tags

other

Advanced Functional Materials
|
Closed access
|
9.13.21

Applied Machine Learning for Developing Next-Generation Functional Materials

Authors
Filip Dinic et al.
AC Members
Oleksandr Voznyy
Tags

electronics, energy, drugs, artificial intelligence

Advanced Materials
|
Open access
|
9.12.21

Phase–Property Diagrams for Multicomponent Oxide Systems toward Materials Libraries

Authors
Leonardo Velasco et al.
AC Members
Pascal Friederich
Tags

electronics, energy, Artificial Intelligence

Chemrxiv
|
Open access
|
9.6.21

Model agnostic generation of counterfactual explanations for molecules

Authors
Geemi P Wellawatte et al.
AC Members
Andrew White
Tags

artificial intelligence

Polymer Science
|
Open access
|
9.3.21

Machine Learning Predictions of Drug Release from Polymeric Long Acting Injectables

Authors
Pauric Bannigan et al.
AC Members
Christine Allen, Alán Aspuru-Guzik
Tags

artificial intelligence, drugs

Arxiv
|
Open access
|
9.2.21

Accelerated automated screening of viscous graphene suspensions with various surfactants for optimal electrical conductivity

Authors
Daniil Bash et al.
AC Members
Kedar Hippalgaonkar
Tags

electronics, automation

ICLASS 2021
|
Closed access
|
9.2.21

An Artificial Neural Network for the Prediction of Penetration Height of Aerated Elliptical Liquid Jets in Gaseous Crossflows

Authors
Mehdi Jadidi et al.
AC Members
Ali Dolatabadi
Tags

artificial intelligence, other

JACS Au
|
Closed access
|
8.31.21

Chemputation and the Standardization of Chemical Informatics

Authors
Alexander Hammer et al.
AC Members
Leroy (Lee) Cronin
Tags

automation

Arxiv
|
Open access
|
8.30.21

Natural Language Processing Models That Automate Programming Will Transform Chemistry Research and Teaching

Authors
Glen M. Hocky et al.
AC Members
Andrew White
Tags

Artificial Intelligence

Electrochimica Acta
|
Closed access
|
8.20.21

On-the-fly assessment of diffusion barriers of disordered transition metal oxyfluorides using local descriptors

Authors
Jin Hyun Chang et al.
AC Members
Tejs Vegge
Tags

energy, Artificial Intelligence

Chemical Reviews
|
Open access
|
8.13.21

Ab Initio Machine Learning in Chemical Compound Space

Authors
Bing Huang
AC Members
Anatole von Lilienfeld
Tags

artificial intelligence

Journal of Chemical Information and Modelling
|
Closed access
|
8.13.21

Machine Learning Models Identify Inhibitors of SARS-CoV-2

Authors
Victor O. Gawriljuk et al.
AC Members
Peter Madrid
Tags

drugs, artificial intelligence, automation

Nature Communications
|
Open access
|
8.11.21

Teaching a neural network to attach and detach electrons from molecules

Authors
Roman Zubatyuk et al.
AC Members
Olexandr Isayev
Tags

Artificial Intelligence

Scientific Reports
|
Closed access
|
8.10.21

Interpretable physics-based models compared with symbolic regression for hopping transport in organic field-effect transistors

Authors
Madhavkrishnan Lakshminarayanan et al.
AC Members
Kedar Hippalgaonkar
Tags

electronics, energy, artificial intelligence, automation

Nature Chemistry
|
Closed access
|
8.9.21

Deep learning to design nuclear-targeting abiotic miniproteins

Authors
Carly K. Schissel et al.
AC Members
Rafael Gomez-Bombarelli
Tags

artificial intelligence, automation, drugs, healthcare

ChemSusChem
|
Open access
|
8.7.21

Understanding the Microstructure Formation of Polymer Films by Spontaneous Solution Spreading Coating with a High-Throughput Engineering Platform

Authors
Rong Wang et al.
AC Members
Christoph Brabec
Tags

artificial intelligence, automation, energy, electronics

JACS
|
Open access
|
8.5.21

Deep Retrosynthetic Reaction Prediction using Local Reactivity and Global Attention

Authors
Shuan Chen
AC Members
Yousung Jung
Tags

healthcare, drugs, artificial intelligence, automation

ChemRxiv
|
Open access
|
8.4.21

MOF Synthesis Prediction Enabled by Automatic Data Mining and Machine Learning

Authors
Yi Luo et al.
AC Members
Pascal Friederich
Tags

electronics, energy, artificial intelligence

Communications Materials
|
Open access
|
8.3.21

Reducing crystallinity in solid polymer electrolytes for lithium-metal batteries via statistical copolymerization

Authors
Vincent St-Onge et al.
AC Members
Jérôme Claverie
Tags

energy

Communications Chemistry
|
Open access
|
8.2.21

Data-science driven autonomous process optimization

Authors
Melodie Christensenet al.
AC Members
Jason Hein, Matthew S. Sigman, Alán Aspuru-Guzik
Tags

artificial intelligence, automation

Advanced Drug Delivery Reviews
|
Open access
|
8.1.21

Machine learning directed drug formulation development

Authors
Pauric Bannigan et al.
AC Members
Christine Allen, Alán Aspuru-Guzik
Tags

artificial intelligence, drugs

PeerJ Physical Chemistry
|
Open access
|
7.31.21

Chemical space exploration: how genetic algorithms find the needle in the haystack

Authors
Emilie S. Henault et al.
AC Members
Jan H. Jensen
Tags

energy, drugs, artificial intelligence

Matter
|
OPEN access
|
7.26.21

Autonomous experimentation systems for materials development: A community perspective

Authors
Eric Stach et al.
AC Members
Jason Hattrick-Simpers, Keith A. Brown, Kristofer G. Reyes, Joshua Schrier, Tonio Buonassisi, John M. Gregoire, Benji Maruyama
Tags

artificial intelligence, automation

Applied Physics Letters
|
Closed access
|
7.14.21

Using automated serendipity to discover how trace water promotes and inhibits lead halide perovskite crystal formation

Authors
Philip W. Nega et al.
AC Members
Joshua Schrier, Tonio Buonassisi
Tags

automation, Artificial Intelligence, energy, electronics, Water

Nature Reviews Materials
|
Closed access
|
7.13.21

Nanoparticle synthesis assisted by machine learning

Authors
Huachen Tao et al.
AC Members
Eugenia Kumacheva
Tags

drugs

Chemical Science
|
Open access
|
7.13.21

Predicting potentially hazardous chemical reactions using an explainable neural networ

Authors
Juhwan Kim et al.
AC Members
Yousung Jung
Tags

Artificial Intelligence

Chemical Science
|
Closed access
|
7.9.21

Predicting chemical shifts with graph neural networks

Authors
Ziyue Yang et al.
AC Members
Andrew White
Tags

Artificial Intelligence

Phys. Rev. Lett.
|
Closed access
|
6.29.21

Neuroevolutionary Learning of Particles and Protocols for Self-Assembly

Authors
Stephen Whitelam et al.
AC Members
Isaac Tamblyn
Tags

energy, Artificial Intelligence, automation

arXiv Computer Science
|
Open access
|
6.28.21

GIFT: Generalizable Interaction-aware Functional Tool Affordances without Labels

Authors
Dylan Turpin et al.
AC Members
Animesh Garg
Tags

artificial intelligence, automation

ACS Appl. Mater. Interfaces
|
Closed access
|
6.25.21

N, P-Codoped Graphene Dots Supported on N-Doped 3D Graphene as Metal-Free Catalysts for Oxygen Reduction

Authors
Xin Tong et al.
AC Members
Jérôme Claverie
Tags

green products, energy

Advanced Functional Materials
|
Closed access
|
6.24.21

Multi-Fidelity High-Throughput Optimization of Electrical Conductivity in P3HT-CNT Composites

Authors
Daniil Bash et al.
AC Members
Kedar Hippalgaonkar
Tags

electronics, artificial intelligence, automation

Reaction Chemistry & Engineering
|
Closed access
|
6.22.21

Development of a telescoped synthesis of 4-(1H)-cyanoimidazole core accelerated by orthogonal reaction monitoring

Authors
Thomas C. Malig et al.
AC Members
Jason Hein
Tags

electronics, healthcare, drugs, artificial intelligence, automation

Integrating Materials and Manufacturing Innovation
|
Open access
|
6.9.21

An Open Combinatorial Diffraction Dataset Including Consensus Human and Machine Learning Labels with Quantified Uncertainty for Training New Machine Learning Models

Authors
Jason Hattrick-Simpers et al.
AC Members
Jason Hattrick-Simpers
Tags

green products, energy, artificial intelligence, automation

Materials Horizons
|
Closed access
|
6.8.21

Electronic transport descriptors for the rapid screening of thermoelectric materials

Authors
Tianqi Deng et al.
AC Members
Kedar Hippalgaonkar
Tags

electronics, energy, artificial intelligence, automation

ACS Appl. Mater. Interfaces
|
Closed access
|
6.8.21

Solvent Vapor Annealing, Defect Analysis, and Optimization of Self-Assembly of Block Copolymers Using Machine Learning Approaches

Authors
Gayashani Ginige et al.
AC Members
Jillian Buriak
Tags

electronics, energy, artificial intelligence

Chemical Communications
|
Closed access
|
6.4.21

Lanthanide dodecyl sulfates, a potent family of catalysts for the preparation of biobased epoxy thermosets

Authors
Forouzan Kazemi et al.
AC Members
Jérôme Claverie
Tags

green products

arXiv Materials Science
|
Open access
|
6.1.21

Advancing the Pareto front using a self-driving laboratory

Authors
Benjamin P. MacLeod et al.
AC Members
Curtis Berlinguette
Tags

artificial intelligence, automation

Computational Materials Science
|
Closed access
|
6.1.21

Problem-fluent models for complex decision-making in autonomous materials research

Authors
Soojung Baek et al.
AC Members
Kristofer Reyes
Tags

Artificial Intelligence, automation

Nature Materials
|
Closed access
|
5.27.21

Machine-learned potentials for next-generation matter simulations

Authors
Pascal Friederich et al.
AC Members
Pascal Friederich
Tags

electronics, energy, artificial intelligence

Chem
|
Open ACCESS
|
5.13.21

Measuring solubility automatically with vision

Authors
Jacob M. Janey
AC Members
Tags

Drugs, Automation, Artificial Intelligence

JACS Au
|
Closed access
|
5.11.21

Graphitic Dots Combining Photophysical Characteristics of Organic Molecular Fluorophores and Inorganic Quantum Dots

Authors
Raphaël de Boëver et al.
AC Members
Jérôme Claverie
Tags

energy

Physical Chemical Letters
|
Closed access
|
5.11.21

Putting Density Functional Theory to the Test in Machine-Learning-Accelerated Materials Discovery

Authors
Chenru Duan et al.
AC Members
Heather J. Kulik
Tags

Artificial Intelligence

Matter
|
Open access
|
5.5.21

Machine learning the quantum-chemical properties of metal–organic frameworks for accelerated materials discovery

Authors
Andrew S. Rosen et al.
AC Members
Randall Q. Snurr
Tags

energy

Trends in Chemistry
|
Closed access
|
5.3.21

Autonomous flow reactors for discovery and invention

Authors
Amanda A. Volk
AC Members
Milad Abolhasani
Tags

green products, energy, artificial intelligence, automation

National Bureau of Economic Research
|
Open access
|
5.1.21

AI Adoption and System-Wide Change

Authors
Ajay Agrawal et al.
AC Members
Ajay Agrawal, Joshua Gans
Tags

artificial intelligence

Advanced Energy Materials
|
Open access
|
4.30.21

Toward Better and Smarter Batteries by Combining AI with Multisensory and Self-Healing Approaches

Authors
Tejs Vegge et al.
AC Members
Tejs Vegge
Tags

energy, artificial intelligence, automation

Acc. Chem. Res.
|
Closed access
|
4.23.21

Ultrahigh-Throughput Experimentation for Information-Rich Chemical Synthesis

Authors
Babak Mahjour et al.
AC Members
Tim Cernak
Tags

drugs, artificial intelligence, automation

iScience
|
Closed access
|
4.23.21

Using simulation to accelerate autonomous experimentation: A case study using mechanics

Authors
Aldair E. Gongora et al.
AC Members
Keith A. Brown
Tags

Artificial Intelligence, automation

Phys. Rev. B
|
Closed access
|
4.16.21

High-throughput search for magnetic topological materials using spin-orbit spillage, machine learning, and experiments

Authors
Kamal Choudhary et al.
AC Members
Kamal Choudhary
Tags

artificial intelligence

arXiv Materials Science
|
Open access
|
4.15.21

The Evolution of Materials Acceleration Platforms – Towards the Laboratory of the Future with AMANDA

Authors
Jerrit Wagner et al.
AC Members
Christoph Brabec
Tags

artificial intelligence, automation, energy

Machine Learning: Science and Technology
|
Open access
|
4.14.21

Scientific intuition inspired by machine learning-generated hypotheses

Authors
Pascal Friederich et al.
AC Members
Pascal Friederich
Tags

electronics, energy, artificial intelligence

Nature
|
Closed access
|
4.7.21

Diversity-oriented synthesis of polymer membranes with ion solvation cages

Authors
Miranda J. Baran et al.
AC Members
Brett A. Helms
Tags

green products, energy, transportation or construction, automation

Chemical Science
|
Open access
|
4.1.21

Reaction-based machine learning representations for predicting the enantioselectivity of organocatalysts

Authors
Simone Gallarati et al.
AC Members
Clemence Corminboeuf
Tags

Artificial Intelligence

Accounts of Chemical Research
|
Closed access
|
3.31.21

Predicting Reaction Yields via Supervised Learning

Authors
Andrzej M. Żurański et al.
AC Members
Abigail Doyle
Tags

Artificial Intelligence

iScience
|
Open access
|
3.19.21

Automated solubility screening platform using computer vision

Authors
Parisa Shiri et al.
AC Members
Jason Hein
Tags

artificial intelligence, automation, green products

Science Advances
|
Closed access
|
3.17.21

Serial femtosecond and serial synchrotron crystallography can yield data of equivalent quality: A systematic comparison

Authors
P. Mehrabi et al.
AC Members
R. J. Dwayne Miller
Tags

healthcare

Accounts of Chemical Research
|
Closed access
|
3.13.21

Development of Multimodal Machine Learning Potentials: Toward a Physics-Aware Artificial Intelligence

Authors
Tetiana Zubatiuk
AC Members
Olexandr Isayev
Tags

automation, energy

Chemical Science
|
Open access
|
3.9.21

Accelerated AI development for autonomous materials synthesis in flow

Authors
Robert W. Epps et al.
AC Members
Milad Abolhasani
Tags

green products, energy, artificial intelligence, automation

Macromolecules
|
Open access
|
3.2.21

Blend Morphology in Polythiophene–Polystyrene Composites from Neutron and X-ray Scattering

Authors
Caitlyn M. Wolf et al.
AC Members
Lilo D. Pozzo
Tags

artificial intelligence, automation, energy

ChemRxiv
|
Open access
|
2.23.21

A Bag of Tricks for Automated De Novo Design of Molecules with the Desired Properties: Application to EGFR Inhibitor Discovery

Authors
Maria Korshunova et al.
AC Members
Olexandr Isayev, Alexander Tropsha
Tags

automation, drugs

Journal of Cheminformatics
|
Open access
|
2.12.21

RegioSQM20: improved prediction of the regioselectivity of electrophilic aromatic substitutions

Authors
Nicolai Ree et al.
AC Members
Jan H. Jensen
Tags

energy, drugs, artificial intelligence

PeerJ Physical Chemistry
|
Open access
|
2.10.21

High throughput virtual screening of 230 billion molecular solar heat battery candidates

Authors
Mads Koerstz et al.
AC Members
Jan H. Jensen
Tags

energy, drugs, artificial intelligence

Nature
|
Closed access
|
2.3.21

Bayesian reaction optimization as a tool for chemical synthesis

Authors
Benjamin J. Shields et al.
AC Members
Abigail Doyle
Tags

automation, artificial intelligence, drugs

ACS Energy Lett.
|
Closed access
|
2.2.21

Self-Cleaning CO2 Reduction Systems: Unsteady Electrochemical Forcing Enables Stability

Authors
Yi Xu et al.
AC Members
David Sinton
Tags

green products, energy, CO2

Accounts of Chemical Research
|
Closed access
|
1.20.21

Automated Experimentation Powers Data Science in Chemistry

Authors
Yao Shi et al.
AC Members
Jason Hein
Tags

artificial intelligence, automation, electronics

Cell Reports Physical Science
|
Closed access
|
1.20.21

Optimization of Formulations Using Robotic Experiments Driven by Machine Learning DoE

Authors
Liwei Cao et al.
AC Members
Alexei Lapkin
Tags

Artificial Intelligence, automation

Arxiv
|
Open access
|
1.12.21

Interpretable discovery of new semiconductors with machine learning

Authors
Hitarth Choubisa et al.
AC Members
Ted Sargent
Tags

materials, artificial intelligence

ACS Central Sci
|
Closed access
|
1.11.21

Automatic Generation of 3D-Printed Reactionware for Chemical Synthesis Digitization using ChemSCAD

Authors
Wenduan Hou et al.
AC Members
Leroy (Lee) Cronin
Tags

drugs, automation

Nature Machine Intelligence
|
Closed access
|
1.10.21

Inverse design of nanoporous crystalline reticular materials with deep generative models

Authors
Zhenpeng Yao et al.
AC Members
Randall Q. Snurr, Alán Aspuru-Guzik
Tags

energy

Cell Reports Physical Science
|
Open access
|
12.23.2020

Autonomous Discovery of Battery Electrolytes with Robotic Experimentation and Machine Learning

Authors
Adarsh Dave et al.
AC Members
Venkat Viswanathan
Tags

artificial intelligence, automation, energy

Nature Chemistry
|
Closed access
|
12.22.2020

Convergence of multiple synthetic paradigms in a universally programmable chemical synthesis machine

Authors
Davide Angelone et al.
AC Members
Leroy (Lee) Cronin
Tags

drugs, automation

J. Chem. Inf. Model.
|
Closed access
|
12.22.2020

Investigating Active Learning and Meta-Learning for Iterative Peptide Design

Authors
Rainier Barrett et al.
AC Members
Andrew White
Tags

drugs, artificial intelligence

Advanced Intelligent Systems
|
Open access
|
12.10.2020

Self-Driven Multistep Quantum Dot Synthesis Enabled by Autonomous Robotic Experimentation in Flow

Authors
Kameel Abdel-Latif et al.
AC Members
Milad Abolhasani
Tags

green products, energy, artificial intelligence, automation

Org. Process Res. Dev.
|
Closed access
|
12.2.2020

Solvent Selection for Mitsunobu Reaction Driven by an Active Learning Surrogate Model

Authors
Chonghuan Zhang et al.
AC Members
Alexei Lapkin
Tags

artificial intelligence, automation

PNAS
|
Closed access
|
12.1.2020

Ionization behavior of nanoporous polyamide membranes

Authors
Cody L. Ritt et al.
AC Members
Jay Werber
Tags

energy

ACS Appl. Mater. Interfaces
|
Closed access
|
11.23.2020

Optimization of the Bulk Heterojunction of All-Small-Molecule Organic Photovoltaics Using Design of Experiment and Machine Learning Approaches

Authors
Aaron Kirkey et al.
AC Members
Jillian Buriak
Tags

electronics, energy, Artificial Intelligence

npj computational materials
|
Open access
|
11.12.2020

The joint automated repository for various integrated simulations (JARVIS) for data-driven materials design

Authors
Kamal Choudhary et al.
AC Members
Kamal Choudhary
Tags

Artificial Intelligence

JACS
|
Closed access
|
10.26.2020

Structure-Based Synthesizability Prediction of Crystals Using Partially Supervised Learning

Authors
Jidon Jang et al.
AC Members
Yousung Jung
Tags

drugs, automation, artificial intelligence

Science
|
Closed access
|
10.2.2020

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

Authors
S. Hessam M. Mehr et al.
AC Members
Leroy (Lee) Cronin
Tags

drugs, automation

ACS Appl. Mater. Interfaces
|
Closed access
|
9.28.2020

Co-Casting Highly Selective Dual-Layer Membranes with Disordered Block Polymer Selective Layers

Authors
Nicolas Hampu et al.
AC Members
Jay Werber
Tags

energy

Chemical Science
|
Open access
|
9.21.2020

Data-powered augmented volcano plots for homogeneous catalysis

Authors
Matthew D. Wodrich et al.
AC Members
Clemence Corminboeuf
Tags

artificial intelligence

Chemical Science
|
Open access
|
9.20.2020

Progress and prospects for accelerating materials science with automated and autonomous workflows

Authors
Helge S. Stein et al.
AC Members
John M. Gregoire
Tags

Artificial Intelligence, automation, energy

Nature Chemistry
|
Closed access
|
9.14.2020

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

Authors
Bing Huang
AC Members
Anatole von Lilienfeld
Tags

Artificial Intelligence

Harvard Business Review
|
Open access
|
9.1.2020

How to win with machine learning

Authors
Ajay Agrawal et al.
AC Members
Ajay Agrawal, Joshua Gans
Tags

artificial intelligence

Chemrxiv
|
Open access
|
8.13.2020

3D Printed Pd(PPh3)4 Impregnated Stirrer Devices for Suzuki-Miyaura Cross-Coupling Reactions

Authors
Matthew R. Penny et al.
AC Members
Stephen Hilton
Tags

green products, electronics, healthcare, drugs, automation

Nature Communications
|
Open access
|
8.13.2020

Understanding the diversity of the metal-organic framework ecosystem

Authors
Seyed Mohamad Moosavi et al.
AC Members
Heather J. Kulik
Tags

energy

Energy Fuels
|
Closed access
|
8.12.2020

Accelerating Fluid Development on a Chip for Renewable Energy

Authors
Junjie Zhong et al.
AC Members
David Sinton
Tags

green products, energy, automation

Metabolic Engineering
|
Closed access
|
8.7.2020

Novel two-stage processes for optimal chemical production in microbes

Authors
Kaushik Raj et al.
AC Members
Krishna Mahadevan
Tags

green products, energy, healthcare

npj Computational Materials volume
|
Open access
|
7.29.2020

Quantifying defects in thin films using machine vision

Authors
Nina Taherimakhsousi et al.
AC Members
Curtis Berlinguette
Tags

artificial intelligence, automation, energy

Machine Learning: Science and Technology
|
Open access
|
7.14.2020

Scientific AI in materials science: a path to a sustainable and scalable paradigm

Authors
Brian L. DeCost et al.
AC Members
Jason Hattrick-Simpers
Tags

green products, energy, artificial intelligence, automation

ACS Central Science
|
Open access
|
7.10.2020

Generative Adversarial Networks for Crystal Structure Prediction

Authors
Sungwon Kim et al.
AC Members
Yousung Jung, Alán Aspuru-Guzik
Tags

energy, automation, artificial intelligence

Nature
|
Closed access
|
7.8.2020

A mobile robotic chemist

Authors
Benjamin Burger et al.
AC Members
Andrew I. Cooper
Tags

artificial intelligence, automation

Organic Process Research & Development
|
Closed access
|
6.23.2020

Fully Automated Chemical Synthesis: Toward the Universal Synthesizer

Authors
Nathan Collins et al.
AC Members
Peter Madrid
Tags

drugs, artificial intelligence, automation

Advanced Materials
|
Closed access
|
6.4.2020

Artificial Chemist: An Autonomous Quantum Dot Synthesis Bot

Authors
Robert W. Epps et al.
AC Members
Milad Abolhasani
Tags

green products, energy, artificial intelligence, automation

Chemistry of Materials
|
Closed access
|
6.4.2020

Robot-Accelerated Perovskite Investigation and Discovery

Authors
Zhi Li et al.
AC Members
Joshua Schrier
Tags

automation, artificial intelligence

Journal of Physical Chemistry
|
Closed
|
5.26.2020

Can Machines “Learn” Halide Perovskite Crystal Formation without Accurate Physicochemical Features?

Authors
Ian M. Pendleton et al.
AC Members
Joshua Schrier
Tags

artificial intelligence, automation, energy

ACS Catalysis
|
Open access
|
5.26.2020

Data-Driven Advancement of Homogeneous Nickel Catalyst Activity for Aryl Ether Cleavage

Authors
Manuel Cordova et al.
AC Members
Clemence Corminboeuf
Tags

artificial intelligence

Science Advances
|
Open access
|
5.19.2020

Simplifying inverse materials design problems for fixed lattices with alchemical chirality

Authors
Guido Falk Von Rudorff
AC Members
Anatole von Lilienfeld
Tags

artificial intelligence

Science Advances
|
Open access
|
5.13.2020

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

Authors
B. P. MacLeod et al.
AC Members
Curtis Berlinguette, Alán Aspuru-Guzik, Jason Hein
Tags

artificial intelligence, automation, energy, electronics

Phys. Rev. E
|
Closed access
|
5.11.2020

Learning to grow: Control of material self-assembly using evolutionary reinforcement learning

Authors
Stephen Whitelam et al.
AC Members
Isaac Tamblyn
Tags

energy, artificial intelligence, automation

Nature Materials
|
Closed access
|
4.27.2020

Universal chemomechanical design rules for solid-ion conductors to prevent dendrite formation in lithium metal batteries

Authors
Chengyin Fu et al.
AC Members
Brett A. Helms
Tags

green products, energy, transportation or construction, automation

Joule
|
Closed access
|
4.15.2020

AI Fast Track to Battery Fast Charge

Authors
Arghya Bhowmik et al.
AC Members
Tejs Vegge
Tags

energy, artificial intelligence, automation

Advanced Materials
|
Open access
|
4.9.2020

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

Authors
Stefan Langner et al.
AC Members
Alán Aspuru-Guzik, Christoph J. Brabec
Tags

artificial intelligence, automation

Matter
|
Closed access
|
4.1.2020

Machine-Learning-Accelerated Perovskite Crystallization

Authors
Jeffrey Kirman et al.
AC Members
Ted Sargent
Tags

energy, artificial intelligence

Reaction Chemistry & Engineering
|
Closed access
|
3.19.2020

Design and development of 3D printed catalytically-active stirrers for chemical synthesis

Authors
Matthew R. Penny et al.
AC Members
Stephen Hilton
Tags

green products, electronics, healthcare, drugs, automation

ACS Nano
|
Closed access
|
3.17.2020

Redox Flow Batteries: How to Determine Electrochemical Kinetic Parameters

Authors
Hao Wang et al.
AC Members
Jillian Buriak
Tags

energy

ACS Central Science
|
Open access
|
3.11.2020

Accurate Multiobjective Design in a Space of Millions of Transition Metal Complexes with Neural-Network-Driven Efficient Global Optimization

Authors
Jon Paul Janet et al.
AC Members
Heather J. Kulik
Tags

artificial intelligence, energy

Nature communications
|
Open access
|
3.6.2020

Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin in the multiphoton regime and biological relevance

Authors
R. J. Dwayne Miller et al.
AC Members
R. J. Dwayne Miller
Tags

healthcare

Nature communications
|
Open access
|
2.21.2020

Serial protein crystallography in an electron microscope

Authors
Robert Bücker et al.
AC Members
R. J. Dwayne Miller
Tags

healthcare

Chemical Science
|
Open access
|
1.29.2020

Benchmarking the acceleration of materials discovery by sequential learning

Authors
Brian Rohr et al.
AC Members
John M. Gregoire
Tags

artificial intelligence, automation, energy

Stanford University Graduate School of Business Research Paper
|
Open access
|
1.10.2020

The Allocation of Decision Authority to Human and Artificial Intelligence

Authors
Susan Athey et al.
AC Members
Joshua Gans
Tags

Artificial Intelligence

Lab On A Chip
|
Closed access
|
12.20.2019

When robotics met fluidics

Authors
Junjie Zhong et al.
AC Members
David Sinton
Tags

healthcare, automation

ACS Medicinal Chemistry Reviews
|
Closed access
|
12.1.2019

Development of Small Molecules to Modulate the Activity of the ATP-Dependent ClpP Protease as a Novel Antibacterial and Anticancer Drug Target

Authors
Funing Lin et al.
AC Members
Robert Batey
Tags

drugs

Langmuir
|
Closed access
|
11.21.2019

On-Demand Sonochemical Synthesis of Ultrasmall and Magic-Size CdSe Quantum Dots in Single-Phase and Emulsion Systems

Authors
Ryan Kastilani et al.
AC Members
Lilo D. Pozzo
Tags

electronics

Nature Catalysis
|
Closed access
|
11.11.2019

Constraining CO coverage on copper promotes high-efficiency ethylene electroproduction

Authors
Jun Li et al.
AC Members
David Sinton
Tags

green products, energy

Joule
|
Open access
|
10.10.2019

Design Rules for Membranes from Polymers of Intrinsic Microporosity for Crossover-free Aqueous Electrochemical Devices

Authors
Miranda J. Baran et al.
AC Members
Brett A. Helms
Tags

green products, energy, transportation or construction, automation

Matter
|
Open access
|
10.2.2019

Inverse Design of Solid-State Materials via a Continuous Representation

Authors
Juhwan Noh et al.
AC Members
Yousung Jung, John M. Gregoire, Alán Aspuru-Guzik
Tags

healthcare, energy, automation, artificial intelligence

Angewandte Chemie International Edition
|
Closed access
|
9.25.2019

Autonomous Discovery in the Chemical Sciences Part II: Outlook

Authors
Connor W. Coley et al.
AC Members
Connor W. Coley
Tags

healthcare, drugs, artificial intelligence, automation

Angewandte Chemie International Edition
|
Closed access
|
9.25.2019

Autonomous Discovery in the Chemical Sciences Part I: Progress

Authors
Connor W. Coley et al.
AC Members
Connor W. Coley
Tags

healthcare, drugs, artificial intelligence, automation

ACS Nano
|
Closed access
|
9.20.2019

Machine Learning Accelerates Discovery of Optimal Colloidal Quantum Dot Synthesis

Authors
Oleksandr Voznyy et al.
AC Members
Oleksandr Voznyy
Tags

energy, artificial intelligence

Crystal Growth & Design
|
Open access
|
9.13.2019

Identification Schemes for Metal–Organic Frameworks To Enable Rapid Search and Cheminformatics Analysis

Authors
Benjamin J. Bucior et al.
AC Members
Randall Q. Snurr, Alán Aspuru-Guzik
Tags

energy

Science
|
Closed access
|
8.9.2019

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

Authors
Connor W. Coley et al.
AC Members
Connor W. Coley
Tags

healthcare, drugs, artificial intelligence, automation

MRS Communications
|
Open access
|
7.22.2019

Materials science in the artificial intelligence age: high-throughput library generation, machine learning, and a pathway from correlations to the underpinning physics

Authors
Rama K. Vasudevan et al.
AC Members
Jason Hattrick-Simpers
Tags

green products, energy, artificial intelligence, automation

Chem. Mater.
|
Closed access
|
7.17.2019

Accelerated Discovery of Efficient Solar Cell Materials Using Quantum and Machine-Learning Methods

Authors
Kamal Choudhary et al.
AC Members
Kamal Choudhary
Tags

energy, artificial intelligence

npj Computational Materials
|
Open access
|
7.12.2019

Machine learning enables polymer cloud-point engineering via inverse design

Authors
Jatin N. Kumar et al.
AC Members
Tonio Buonassisi
Tags

artificial intelligence, automation

ChemElectroChem
|
Closed access
|
6.4.2019

Supporting-Electrolyte-Free Electrochemical Methoxymethylation of Alcohols Using a 3D-Printed Electrosynthesis Continuous Flow Cell System

Authors
Carlo G. W. van Melis et al.
AC Members
Stephen Hilton
Tags

green products, electronics, healthcare, drugs, automation

EurJOC
|
Closed access
|
5.21.2019

Modular 3D Printed Compressed Air Driven Continuous-Flow Systems for Chemical Synthesis

Authors
Matthew R. Penny et al.
AC Members
Stephen Hilton
Tags

green products, electronics, healthcare, drugs, automation

Nature Chemistry
|
Closed access
|
4.22.2019

Closed-loop recycling of plastics enabled by dynamic covalent diketoenamine bonds

Authors
Peter R. Christensen et al.
AC Members
Brett A. Helms
Tags

green products, energy, transportation or construction, automation

Nature Chemistry
|
Closed access
|
4.15.2019

N-heterocyclic carbene-functionalized magic-number gold nanoclusters

Authors
Mina R. Narouz et al.
AC Members
Cathleen Crudden
Tags

electronics, transportation or construction, drugs, automation

Chemical Science
|
Closed access
|
3.20.2019

Extensive deep neural networks for transferring small scale learning to large scale systems

Authors
Kyle Mills et al.
AC Members
Isaac Tamblyn
Tags

energy, artificial intelligence, automation

Metabolic Engineering Communications
|
Open access
|
3.19.2019

Impact framework: A python package for writing data analysis workflows to interpret microbial physiology

Authors
Naveen Venayak et al.
AC Members
Krishna Mahadevan
Tags

green products, energy, healthcare, artificial intelligence, automation

Nature
|
Closed access
|
3.13.2019

Small-molecule ion channels increase host defences in cystic fibrosis airway epithelia

Authors
Katrina A. Muraglia et al.
AC Members
Marty Burke
Tags

healthcare, drugs

Chemical Science
|
Open access
|
2.11.2019

A graph-based genetic algorithm and generative model/Monte Carlo tree search for the exploration of chemical space

Authors
Jan H. Jensen (single author)
AC Members
Jan H. Jensen
Tags

energy, drugs, artificial intelligence

JACS
|
Closed access
|
1.31.2019

Learning-in-Templates Enables Accelerated Discovery and Synthesis of New Stable Double Perovskites

Authors
Mikhail Askerka et al.
AC Members
Ted Sargent
Tags

energy, artificial intelligence

Nano Letters
|
Closed access
|
12.13.2018

Spontaneous Nucleation of Stable Perfluorocarbon Emulsions for Ultrasound Contrast Agents

Authors
David S. Li et al.
AC Members
Lilo D. Pozzo
Tags

energy

Molecular Systems Design & Engineering
|
Open access
|
11.1.2018

Energy-based descriptors to rapidly predict hydrogen storage in metal–organic frameworks

Authors
Benjamin J. Bucior et al.
AC Members
Randall Q. Snurr
Tags

energy

I&EC Research
|
CLOSED ACCESS
|
9.24.2018

Strategies and Software for Machine Learning Accelerated Discovery in Transition Metal Chemistry

Authors
Aditya Nandy et al.
AC Members
Heather J. Kulik
Tags

Energy, Automation

Molecular Systems Design & Engineering
|
Open access
|
8.17.2018

Can machine learning identify the next high-temperature superconductor? Examining extrapolation performance for materials discovery

Authors
Bryce Meredig et al.
AC Members
Jason Hattrick-Simpers
Tags

green products, energy, artificial intelligence, automation

ACS Central Science
|
Open access
|
8.10.2018

Machine Learning Enabled Computational Screening of Inorganic Solid Electrolytes for Suppression of Dendrite Formation in Lithium Metal Anodes

Authors
Zeeshan Ahmad et al.
AC Members
Venkat Viswanathan
Tags

artificial intelligence, automation, energy

Science Advances
|
Open access
|
7.25.2018

Deep reinforcement learning for de novo drug design

Authors
Mariya Popova et al.
AC Members
Olexandr Isayev, Alexander Tropsha
Tags

automation, drugs

Chemical Science
|
Open access
|
7.21.2018

Machine learning meets volcano plots: computational discovery of cross-coupling catalysts

Authors
Benjamin Meyer et al.
AC Members
Clemence Corminboeuf
Tags

Artificial Intelligence

ACS Nano
|
Closed access
|
7.20.2018

How To Optimize Materials and Devices via Design of Experiments and Machine Learning: Demonstration Using Organic Photovoltaics

Authors
Bing Cao et al.
AC Members
Jillian Buriak
Tags

electronics, energy, artificial intelligence

Nature
|
Closed access
|
7.18.2018

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

Authors
Jarosław M. Granda et al.
AC Members
Leroy Cronin
Tags

artificial intelligence, automation

Angewandte Chemie International Edition
|
Closed access
|
7.3.2018

The Molecular Industrial Revolution: Automated Synthesis of Small Molecules

Authors
Melanie Trobe et al.
AC Members
Marty Burke
Tags

automation

Nature Reviews Chemistry
|
Open access
|
7.2.2018

Towards the generalized iterative synthesis of small molecules

Authors
Jonathan W. Lehmann et al.
AC Members
Marty Burke
Tags

automation

Science
|
Closed access
|
4.13.2018

Predicting reaction performance in C–N cross-coupling using machine learning

Authors
Derek T. Ahneman et al.
AC Members
Abigail Doyle
Tags

Artificial Intelligence

JACS
|
Closed access
|
3.27.2018

Deoxyfluorination with Sulfonyl Fluorides: Navigating Reaction Space with Machine Learning

Authors
Matthew K. Nielsen et al.
AC Members
Abigail Doyle
Tags

artificial intelligence, drugs, healthcare

Antimicrobial Agents and Chemotherapy
|
Open access
|
1.25.2018

Efficacy of Tilorone Dihydrochloride against Ebola Virus Infection

Authors
Sean Ekins et al.
AC Members
Peter Madrid
Tags

drugs, artificial intelligence, automation

JACS
|
Closed access
|
12.7.2017

Preparation of Quaternary Centers via Nickel-Catalyzed Suzuki–Miyaura Cross-Coupling of Tertiary Sulfones

Authors
Zachary T. Ariki et al.
AC Members
Cathleen Crudden
Tags

electronics, transportation or construction, drugs, automation

JACS
|
Closed access
|
12.6.2017

Ultrastable Gold Nanoparticles Modified by Bidentate N-Heterocyclic Carbene Ligands

Authors
Renee W. Man et al.
AC Members
Cathleen Crudden
Tags

electronics, transportation or construction, drugs, automation

MIT Sloan Management Review
|
Open access
|
7.2.2017

What to Expect From Artificial Intelligence

Authors
Ajay Agrawal et al.
AC Members
Ajay K. Agrawal, Joshua Gans
Tags

Artificial Intelligence

Science
|
Closed access
|
5.12.2017

Restored iron transport by a small molecule promotes absorption and hemoglobinization in animals

Authors
Anthony S. Grillo et al.
AC Members
Marty Burke
Tags

healthcare, drugs

Nature Communications
|
Open access
|
9.2.2016

Simple direct formation of self-assembled N-heterocyclic carbene monolayers on gold and their application in biosensing

Authors
Cathleen M. Crudden et al.
AC Members
Cathleen Crudden
Tags

healthcare

Journal of Computational Chemistry
|
Closed Access
|
7.1.2016

molSimplify: A toolkit for automating discovery in inorganic chemistry

Authors
Efthymios I. Ioannidis et al.
AC Members
Heather J. Kulik
Tags

Energy, Automation

Nature Reviews Materials
|
Closed access
|
4.5.2016

Materials for next-generation desalination and water purification membranes

Authors
Jay Werber et al.
AC Members
Jay Werber
Tags

energy

J. Med. Chem.
|
Closed access
|
1.12.2016

Development and Characterization of Potent Cyclic Acyldepsipeptide Analogues with Increased Antimicrobial Activity

Authors
Jordan D. Goodreid et al.
AC Members
Robert Batey
Tags

drugs

SIAM/ASA J. Uncertainty Quantification
|
Closed access
|
4.8.2015

Optimal Learning in Experimental Design Using the Knowledge Gradient Policy with Application to Characterizing Nanoemulsion Stability

Authors
Si Chen et al.
AC Members
Kristofer Reyes
Tags

drugs, Artificial Intelligence, automation

Science
|
Closed access
|
3.13.2015

Synthesis of many different types of organic small molecules using one automated process

Authors
Junqi Li et al.
AC Members
Marty Burke
Tags

automation

Science
|
Closed access
|
1.2.2015

Nanomole-scale high-throughput chemistry for the synthesis of complex molecules

Authors
Alexander B. Santanilla et al.
AC Members
Tim Cernak
Tags

green products, drugs, artificial intelligence, automation

Org. Lett.
|
Closed access
|
4.14.2014

An Organotrifluoroborate-based Convergent Total Synthesis of the Potent Cancer Cell Growth Inhibitory Depsipeptides Kitastatin and Respirantin.

Authors
Ramsay E. Beveridge et al.
AC Members
Robert Batey
Tags

drugs

Angew. Chem.
|
Closed access
|
8.22.2013

A Short Total Synthesis of the Marine Sponge Pyrrole-2-aminoimidazole Alkaloid (±)-Agelastatin A

Authors
Petar A. Duspara et al.
AC Members
Robert Batey
Tags

drugs

Physical Review Letters
|
Open access
|
1.31.2012

Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning

Authors
Matthias Rupp et al.
AC Members
Anatole von Lilienfeld
Tags

artificial intelligence

SLAS Discovery
|
Open access
|
1.18.2011

A High-Throughput Fluorescence Polarization Assay for Inhibitors of Gyrase B

Authors
Bryan T. Glaser et al.
AC Members
Peter Madrid
Tags

drugs, artificial intelligence, automation

Plos One
|
Open access
|
9.28.2010

Ultrafast Mid-IR Laser Scalpel: Protein Signals of the Fundamental Limits to Minimally Invasive Surgery

Authors
Saeid Amini-Nik et al.
AC Members
R. J. Dwayne Miller
Tags

healthcare

Phys. Rev. Lett.
|
Closed access
|
10.9.2009

Disorder Identification in Hysteresis Data: Recognition Analysis of the Random-Bond–Random-Field Ising Model

Authors
O. S. Ovchinnikov et al.
AC Members
Sergei V. Kalinin
Tags

artificial intelligence, automation

No items found.
Water
CO2
Materials and manufacturing
Metals
Hardware
Transportation or construction
Green Products
Electronics
Healthcare
Drugs
Energy
Automation
Artificial Intelligence

Deadline to apply for our 2023 AC postdoc fellowship is Jan 27!

bars
times
>