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.
Get the whole story in their article, available open access:
David E. Graff, Edward O. Pyzer-Knapp, Kirk E. Jordan, Eugene I. Shakhnovich and Connor W. Coley, Digital Discovery, 2023, 2, 1452–1460
Our latest research infographic shares Snapp and Brown’s heuristic framework for defining the operaiton of self-driving labs.
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
Discover new research on feature selection for molecular systems in this new infographic:
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
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.
Read their full article, open access, at the link below:
Nathan Jiscoot, Evgeny A. Uslamin, and Evgeny A. Pidko, Digital Discovery, 2023, 2, 994–1005, DOI: 10.1039/D3DD00016H
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!
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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.” |
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Dr Linda Hung Toyota Research Institute, United States Title: “Data-driven insights about inorganic crystal structures.” |
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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
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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.” |
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Dr Linda Hung Toyota Research Institute, United States Title: “Data-driven insights about inorganic crystal structures.” |
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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:
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!
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.
We’re pleased to share this new infographic based on research from Florence et al., which uses machine learning techniques to predict the flow behaviour of pharmaceutical powders from their physical properties:
Read the full article (open access) for more:
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.
In the fast-paced world of scientific research, staying abreast of the latest breakthroughs and innovations is crucial. The RSC, with journals like Digital Discovery, play a vital role in disseminating cutting-edge knowledge, and one of the ways we do so is by recognizing and celebrating outstanding contributions from the global research community. We are thrilled to unveil the winners of the Digital Discovery Outstanding Paper 2022 Award.
The selection process is rigorous, with the Editorial Board carefully evaluating each paper’s scientific merit and its potential to shape future research.
Without further ado, we are proud to introduce the winners of the Digital Discovery Outstanding Paper 2022 Award:
Vasileios Sergis and Claudiane M. Ouellet-Plamondon
Digital Discovery, 2022, 1, 645-657
DOI 10.1039/D2DD00040G
Winning this prestigious award is a remarkable achievement for Vasileios Sergis and Claudiane M. Ouellet-Plamondon, the authors of the winning paper. Their work on automating mix design for 3D concrete printing using optimization methods has not only garnered recognition but has also demonstrated its potential to advance 3D concrete printing technology.
In response to the news, Vasileios Sergis expressed his enthusiasm, stating, “Winning the Outstanding Paper Award 2022 is a moment of great importance, honour, and a deeply meaningful achievement for me.” He added, “This award serves as a strong motivator for continuous exploration and commitment to excellence in my academic journey. I am genuinely thankful for this award.”
Claudiane Ouellet-Plamondon echoed the excitement, emphasizing the timeliness of their research, stating, “The timing is great as we want to solve more challenges with machine learning (ML).” She highlighted the potential of ML in designing binder and concrete with a lower CO2 impact, emphasizing its importance in mitigating climate change.
For those eager to delve deeper into the award-winning research, Vasileios Sergis and Claudiane M. Ouellet-Plamondon will be presenting their findings in a webinar series scheduled for October. The exact date is yet to be defined, so be sure to follow @digital_rsc on Twitter for updates and details on how to join these insightful sessions.
The Outstanding Paper 2022 Award recognizes and celebrates excellence in digital science. We extend our heartfelt congratulations to Vasileios Sergis and Claudiane M. Ouellet-Plamondon for their outstanding achievement, and we look forward to the insights they will share in their upcoming webinar series. Stay tuned for more exciting discoveries in the world of digital science!
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