Author Archive

Research infographic – Robotically automated 3D printing and testing of thermoplastic material specimens

We’re pleased to share this new infographic on research from Haranczyk et al.

An infographic summarising the linked article.

Read the article here:

Robotically automated 3D printing and testing of thermoplastic material specimens

“Formalizing chemical physics using the Lean theorem prover” featured on Breaking Math

Josephson et al.‘s paper “Formalizing chemical physics using the Lean theorem prover” is featured on a new episode of the Breaking Math podcast! Find it at the links below or in your favourite podcatcher.

Apple Podcasts

Spotify podcasts

Read the open access article here.

Research infographic – Digitisation of a modular plug and play 3D printed continuous flow system for chemical synthesis

Our new infographic highlights work from Hilton et al. on a 3D-printed, modular system for classical and photochemical synthesis:

An infographic summarising the linked article.

Read their paper below to find out more:

Digitisation of a modular plug and play 3D printed continuous flow system for chemical synthesis

Mireia Benito Montaner, Matthew R. Penny and Stephen T. Hilton, Digital Discovery, 2023, 2, 1797–1805

Research infographic – Evaluating the roughness of structure–property relationships using pretrained molecular representations

Work by Coley et al. features in the next Digital Discovery infographic, which introduces  a reformulation of the roughness index (ROGI) to help understand the roughtness of QSPR surfaces created by new models.

An infographic summarising the linked article.

Get the whole story in their article, available open access:

Evaluating the roughness of structure–property relationships using pretrained molecular representations

David E. Graff, Edward O. Pyzer-Knapp, Kirk E. Jordan, Eugene I. Shakhnovich and Connor W. Coley, Digital Discovery, 2023, 2, 1452–1460

Research infographic – Driving school for self-driving labs

Our latest research infographic shares Snapp and Brown’s heuristic framework for defining the operaiton of self-driving labs.

An infographic summarising the linked article

Find out more in their open access article here:

Driving school for self-driving labs

Kelsey L. Snapp and Keith A. Brown, Digital Discovery, 2023, 2, 1620–1629, DOI: 10.1039/D3DD00150D

Research infographic – Feature selection in molecular graph neural networks based on quantum chemical approaches

Discover new research on feature selection for molecular systems in this new infographic:

An infographic summarising the linked article

Read the open access full article at the link below:

Feature selection in molecular graph neural networks based on quantum chemical approaches

Daisuke Yokogawa and Kayo Suda, Digital Discovery, 2023, 2, 1089–1097, DOI: 10.1039/D3DD00010A

Research Infographic – Model-based evaluation and data requirements for parallel kinetic experimentation and data-driven reaction identification and optimization

Our newest infographic presents research from Jiscoot, Uslamin, and Pidko, developing an algorithm for constructing and evaluating kinetic models which has a a grounding in physical effects.

An infographic summarising the linked research article

Read their full article, open access, at the link below:

Model-based evaluation and data requirements for parallel kinetic experimentation and data-driven reaction identification and optimization

Nathan Jiscoot, Evgeny A. Uslamin, and Evgeny A. Pidko, Digital Discovery, 2023, 2, 994–1005, DOI: 10.1039/D3DD00016H

Desktop seminar recording now available: Claudiane Ouellet-Plamondon, Digital Discovery Outstanding Paper Award winner

Our recent Desktop Seminar with our Outstanding Paper Award winner Claudiane Ouellet-Plamondon, and Associate Editor Linda Hung, is now available to view on demand. We hope you enjoy the interesting work from our presenters!

Seminar recording

 

Professor Claudiane Ouellet-Plamondon

École de Technologie Supérieure Montreal, Canada

Title: “From automated mix design of concrete for 3D printing to a vision of an algorithmic system for net zero concrete.”

A portrait of professor Claudiane Ouellet-Plamondon
 

Dr Linda Hung

Toyota Research Institute, United States

Title: “Data-driven insights about inorganic crystal structures.”

A portrait of Dr Linda Hung

Further seminar information

More about this year’s Outstanding Paper Award winners

RSC Desktop Seminar: Claudiane Ouellet-Plamondon, Digital Discovery Outstanding Paper Award winner

We are pleased to announce a new desktop seminar to recognise the Digital Discovery Outstanding Paper Award winners for 2022, Professor Claudiane Ouellet-Plamondon and Dr Vasileios Sergis.

Join Professor Ouellet-Plamondon and Digital Discovery Associate Editor Dr Linda Hung as they present their latest research. This 60-minute seminar will allow researchers of all professional levels to connect and share ideas and ask questions.

If you’re interested in the seminar but can’t make the date, register your interest and we’ll send you a link to the recording afterwards.

Tuesday 24 October, 0900 PDT

 

Professor Claudiane Ouellet-Plamondon

École de Technologie Supérieure Montreal, Canada

Title: “From automated mix design of concrete for 3D printing to a vision of an algorithmic system for net zero concrete.”

A portrait of professor Claudiane Ouellet-Plamondon
 

Dr Linda Hung

Toyota Research Institute, United States

Title: “Data-driven insights about inorganic crystal structures.”

A portrait of Dr Linda Hung

Further seminar information

More about this year’s Outstanding Paper Award winners

This seminar has already taken place, however you can view a recording at the link below:

Seminar recording

Dr Giodarno Mancini wins the mid-2023 Digital Discovery data reviewer draw!

We’re pleased to announce that Dr Giordano Mancini is the winner of the Digital Discovery mug in our most recent data reviewer prize draw. Congratulations Giordano!

A Digital Discovery-branded mug

If you would like to join our data reviewer pool and have the chance of winning our next mug, please see our earlier blog post for information.