Archive for April, 2025

Call for papers celebrating the International Year of Quantum Science and Technology 2025

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We are delighted to announce a call for papers celebrating the UNESCO International Year of Quantum Science and Technology 2025. This collection across a selection of our materials, nanoscience, physical chemistry and interdisciplinary journals is now open for submissions.

The submission deadline is 1 October 2025.

For this broad collection of articles celebrating Quantum Science and Technology we encourage contributions on topics including, but not limited to:

  • New quantum mechanical computational chemistry methods
    • Focusing on new methods to provide expanded variability (customization) to programs and algorithms applied to molecular and materials discovery.
  • Studies on materials and nanostructures which exploit quantum effects
    • The engineering and investigation of materials and nanostructures that exploit QM effects. The collection seeks papers that offer insights into the understanding of Quantum effects or mechanistic insights rather than routine experimental studies that focus on material / device performance.
  • Cross-disciplinary studies looking at quantum effects in molecular systems
    • Studies that bridge chemistry with adjacent disciplines to understand electronic and fundamental effects such as quantum dot cellular automata.
  • Applications of quantum computing in chemistry
    • The design of new quantum algorithms, and application of existing algorithms, in the calculation, prediction and design of atomic, molecular, and materials properties.

This collection will be hosted across the following journals.

Chemical Science, Chemical Communications, RSC Applied Interfaces and RSC Advances

Digital Discovery and Physical Chemistry Chemical Physics

Materials Horizons, Journal Materials Chemistry A, Journal Materials Chemistry B, Journal Materials Chemistry C, and Materials Advances,

Nanoscale Horizons, Nanoscale and Nanoscale Advances

We hope you will accept our invitation to contribute to this collection. If you are interested, please contact us at journals@rsc.org and let us know which journal you would like to contribute to. If you have any questions, we would be delighted to send you more information. If you are unsure which journal would be the most suitable for your work or would like to check a topic’s suitability for a journal, we would be happy to help.

Publishing open access with RSC journals unlocks the full potential of your research – bringing increased visibility, wider readership and higher citation potential to your work. As a not-for-profit organisation serving the chemical sciences community we ensure that our article processing charge (APC) remains the most competitive of major publishers. More details can be found here. You can also use our journal finder tool to check if your institution currently has an agreement with the RSC that may entitle you to a discount or fully cover the APC.

Articles will be added to the collection as soon as they are accepted, and promotion of the collection is scheduled for the end of 2025. Please mention the collection name “Quantum Science and Technology” when you submit your manuscript. Please note that all submissions will undergo peer-review in the usual manner and must comply with each journal’s usual journal scope and standards.

Welcoming Dr Milad Abolhasani as Associate Editor

We’re pleased to announce that Dr Milad Abolhasani has joined our editorial team as a new Associate Editor.

Dr. Abolhasani is an expert in autonomous chemical experimentation and currently serves as ALCOA Professor, University Faculty Scholar, and Director of the Graduate Program in Chemical and Biomolecular Engineering at North Carolina State University. He also plays a key role in NC State’s Integrative Sciences Initiative as Director of Accelerated Technologies.

His research focuses on self-driving labs—automated microfluidic platforms for accelerated discovery and manufacturing of advanced materials and molecules. Dr. Abolhasani’s work has received international recognition, including the NSF CAREER Award, AIChE Catalysis & Reaction Engineering Early Career Investigator Award, and the Dreyfus Award for Machine Learning in the Chemical Sciences & Engineering.

We’re thrilled to welcome Dr Abolhasani to our editorial team and look forward to his expertise and insight in Digital Discovery.

Join us in welcoming Milad on LinkedIn!

Digital Discovery is an international gold open-access journal. Join a community committed to impactful research and collaboration.

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Workshop on AI in Drug Discovery at the 34th International Conference on Artificial Neural Networks ICANN25

The 2nd Workshop on AI in Drug Discovery (https://e-nns.org/icann2025/aidd) to be held within the esteemed 34th International Conference on Artificial Neural Networks (ICANN 2025), invites cutting-edge contributions in the rapidly evolving field of AI-driven drug discovery. We are seeking submissions encompassing various facets such as generative models, eXplainable AI (XAI), uncertainty quantification, reaction informatics and synthetic route prediction, quantum machine learning for reactivity, methodologies for mining very large compound data sets, federated learning, analysis of HTS data, multimodal and equivariant neural networks, and other topics related to the use of ML in chemistry. This workshop aims to bring together machine learning experts, computational chemists and chemoinformaticians working on the development and application of ML in chemistry, environmental health and (eco)toxicology.

 

WORKSHOP TOPICS

We look forward to receiving contributions from all researchers active in the field, whether they are developing novel methodologies or expanding the scope of established methodologies. A non-exhaustive list of topics includes:

  • Big Data and Advanced Machine Learning in Chemistry
  • eXplainable AI (XAI) in Chemistry
  • Use of Deep Learning to Predict Molecular Properties
  • Cheminformatics
  • Modeling and Prediction of Chemical Reactions
  • Generative Models

 

SUBMISSION INSTRUCTIONSContributions (full papers or extended abstracts) should be submitted through the regular ICANN submission system at https://e-nns.org/icann2025/submission.  Select track “Workshop: AI in Drug Discovery”. Accepted papers/abstracts will appear in the ICANN2025 proceedings. The authors of accepted articles/abstracts will be invited to submit new or updated papers to a special issue of Digital Discovery (including 25% discount on the publication fee) before end of December 2025. Notice that all submissions for this SI should be full research papers, with an emphasis on novelty in methodology. If any of the work has been previously published as an abstract, it will not pose an issue, provided that the full paper includes all necessary details for replication, including data and code. If the full paper has been published, the journal submission should be significantly expanded or revised. A journal article should provide additional value beyond what was published in the conference proceedings and should include substantial new material or findings that were not part of the conference version.

 

IMPORTANT DATES

  • Deadline for full papers and extended abstracts via submission system: 15th of April
  • Deadline for extended abstract submission: 1th of May
  • Notification of acceptance: 15th of May
  • Conference dates: 9 – 12 September 2025

 

PROGRAM COMMITTEE

Ola Engkvist (AstraZeneca), Matteo Aldeghi (Bayer), Marc Bianciotto (Sanofi), Chris Barbel (Molecular Networks), Jan Halborg Jensen (U. Copenhagen), Alexandre Varnek (U. Strasbourg),  Mike Preuss (U. Leiden), Alessandra Roncaglioni (IRFMN), Noelia Ferruz (CRG), Fabian Theis (TUM), Francesca Grisoni (TU/e), Rodolphe Vuilleumier (ENS-PSL), Michael Wand (USI), Philippe Schwaller (EPFL), Hyun Kil Shin (KIT) and Jürgen Schmidhuber (USI)

The workshop will be organized in connection with the Horizon Europe Marie Skłodowska-Curie Actions Doctoral Network EID grant agreement No. 101120466 “Explainable AI for Molecules” (AiChemist) https://aichemist.eu.

 

ORGANIZERS

Dr. Igor V. Tetko

Group Leader Chemoinformatics

Institute of Structural Biology, Helmholtz Munich, Germany

Contact: aidd@aichemist.eu

Dr. Djork-Arné Clevert

VP Machine Learning Research
Pfizer, Berlin, Germany

Contact: Djork-Arne.Clevert@pfizer.com