Archive for the ‘collections’ Category

New themed collection in collaboration with Accelerate Conference 2022

Portraits of the three Guest Editors

We’re pleased to announce that a new themed collection from Digital Discovery has now been published online.

Read the collection

This new themed collection represents a collaboration between the editors of Digital Discovery and the Acceleration Consortium, organisers of the Accelerate Conference. The goal of the conference was to explore the power of self-driving labs (SDLs), which combine AI, automation, and advanced computing to accelerate materials and molecular discovery.

This themed collection, Guest Edited by Prof. Keith A. Brown (Boston University, USA), Prof. Fedwa El Mellouhi (Hamad Bin Khalifa University, Qatar), and Prof. Claudiane Ouellet-Plamondon (École de technologie supérieure, Canada), features contributions that cover various aspects of this process, whether specifically presented at the conference or not.

Examples include, realization of new SDLs; fundamental studies of the operation of SDLs; sustainable, resilient, low carbon, materials and chemical discoveries made using SDLs.

A list of the articles has been provided below. All articles in Digital Discovery are open access and free to read.

We hope you enjoy this new themed collection from Digital Discovery.

A new collection to feature contributors to Accelerate Conference 2023 and Accelerate Conference 2024 is currently in preparation – watch this space for more information!

 

Editorial

Introduction to “Accelerate Conference 2022”
Keith A. Brown, Fedwa El Mellouhi and Claudiane Ouellet-Plamondon
Digital Discovery, 2024, 3, DOI: 10.1039/D4DD90036G

 

Perspectives

The laboratory of Babel: highlighting community needs for integrated materials data management
Brenden G. Pelkie and Lilo D. Pozzo
Digital Discovery, 2023, 2, 544–556, DOI: 10.1039/D3DD00022B

What is missing in autonomous discovery: open challenges for the community
Phillip M. Maffettone, Pascal Friederich, Sterling G. Baird, Ben Blaiszik, Keith A. Brown, Stuart I. Campbell, Orion A. Cohen, Rebecca L. Davis, Ian T. Foster, Navid Haghmoradi, Mark Hereld, Howie Joress, Nicole Jung, Ha-Kyung Kwon, Gabriella Pizzuto, Jacob Rintamaki, Casper Steinmann, Luca Torresi and Shijing Sun
Digital Discovery, 2023, 2, 1644–1659, DOI: 10.1039/D3DD00143A

Autonomous cementitious materials formulation platform for critical infrastructure repair
Howie Joress, Rachel Cook, Austin McDannald, Mark Kozdras, Jason Hattrick-Simpers, Aron Newman and Scott Jones
Digital Discovery, 2024, 3, 231–237, DOI: 10.1039/D3DD00211J

 

Papers

A fully automated platform for photoinitiated RAFT polymerization
Jules Lee, Prajakatta Mulay, Matthew J. Tamasi, Jonathan Yeow, Molly M. Stevens and Adam J. Gormley
Digital Discovery, 2023, 2, 219–233, DOI: 10.1039/D2DD00100D

A high-throughput workflow for the synthesis of CdSe nanocrystals using a sonochemical materials acceleration platform
Maria Politi, Fabio Baum, Kiran Vaddi, Edwin Antonio, Joshua Vasquez, Brittany P. Bishop, Nadya Peek, Vincent C. Holmberg and Lilo D. Pozzo
Digital Discovery, 2023, 2, 1042–1057, DOI: 10.1039/D3DD00033H

Neural networks trained on synthetically generated crystals can extract structural information from ICSD powder X-ray diffractograms
Henrik Schopmans, Patrick Reiser and Pascal Friederich
Digital Discovery, 2023, 2, 1414–1424, DOI: 10.1039/D3DD00071K

Driving school for self-driving labs
Kelsey L. Snapp and Keith A. Brown
Digital Discovery, 2023, 2, 1620–1629, DOI: 10.1039/D3DD00150D

Robotically automated 3D printing and testing of thermoplastic material specimens
Miguel Hernández-del-Valle, Christina Schenk, Lucía Echevarría-Pastrana, Burcu Ozdemir, Enrique Dios-Lázaro, Jorge Ilarraza-Zuazo, De-Yi Wang and Maciej Haranczyk
Digital Discovery, 2023, 2, 1969–1979, DOI: 10.1039/D3DD00141E

Towards a modular architecture for science factories
Rafael Vescovi, Tobias Ginsburg, Kyle Hippe, Doga Ozgulbas, Casey Stone, Abraham Stroka, Rory Butler, Ben Blaiszik, Tom Brettin, Kyle Chard, Mark Hereld, Arvind Ramanathan, Rick Stevens, Aikaterini Vriza, Jie Xu, Qingteng Zhang and Ian Foster
Digital Discovery, 2023, 2, 1980–1998, DOI: 10.1039/D3DD00142C

A human-in-the-loop approach for visual clustering of overlapping materials science data
Satyanarayana Bonakala, Michael Aupetit, Halima Bensmail and Fedwa El-Mellouhi
Digital Discovery, 2024, 3, 502–513, DOI: 10.1039/D3DD00179B

Partnering with the AI for Accelerated Materials Design workshop at NeurIPS ’23

We are pleased to announce that we are partnering with the AI for Accelerated Materials Design “AI4Mat” workshop at NeurIPS 2023. Digital Discovery will be publishing selected submissions from this exciting workshop in an upcoming special article collection, to be publicised in early 2024.

The AI for Accelerated Materials Discovery (AI4Mat) Workshop 2023 provides an inclusive and collaborative platform where AI researchers and material scientists converge to tackle the cutting-edge challenges in AI-driven materials discovery and development. Its goal is to foster a vibrant exchange of ideas, breaking down barriers between disciplines and encouraging insightful discussions among experts from diverse disciplines and curious newcomers to the field. The workshop embraces a broad definition of materials design encompassing matter in various forms, such as crystalline and amorphous solid-state materials, glasses, molecules, nanomaterials, and devices. By taking a comprehensive look at automated materials discovery spanning AI-guided design, synthesis and automated material characterization, the organisers aim to create an opportunity for deep, thoughtful discussion among researchers working on these interdisciplinary topics, and highlight ongoing challenges in the field.

Find out more about the workshop, including submission guidelines, at the web site. Details of the Digital Discovery article collection will be shared with the participants in due course.