Author Archive

Welcoming Claire Adjiman as the new Editor-in-Chief and Andrew Ferguson as the new Deputy Editor-in-Chief of MSDE

We are delighted to announce that Professor Claire Adjiman (Imperial College London, UK) has been appointed as the new Editor-in-Chief for MSDE. Furthermore, we are pleased that Claire will be joined by Professor Andrew Ferguson (University of Chicago, USA) as Deputy Editor-in-Chief for the journal.


Claire Adjiman, MSDE Editor-in-Chief

Claire Adjiman is Professor of Chemical Engineering at Imperial College London. Her research is focused on multiscale process and molecular/materials design, including the development of design methods, property prediction techniques and optimisation algorithms. She is a Fellow of the Royal Academy of Engineering, an International Honorary Member of the American Academy of Arts and Sciences and of the US National Academy of Engineering as well as a Fellow of IChemE and the RSC. At Imperial College London, she was a Founding Co-Director of the Institute for Molecular Science and Engineering and is Director of the Centre for Process Systems Engineering.

The MSDE proposition, at the crossroads between pressing societal needs and emerging scientific innovation, is timely and compelling. The journal excels at bringing together researchers across often disparate fields of research to form a “molecular systems design community”.” – Claire Adjiman


Andrew Ferguson, MSDE Deputy Editor-in-Chief

Andrew Ferguson is an Associate Professor at the Pritzker School of Molecular Engineering at the University of Chicago. His research uses molecular simulation, statistical thermodynamics, and machine learning to understand and engineer self-assembling and biomolecular materials. Ferguson is the recipient of a 2020 Dreyfus Foundation Award for Machine Learning in the Chemical Sciences and Engineering and a 2018/19 Junior Moulton Medal of the Institution of Chemical Engineers.

I feel privileged to work with the RSC, IChemE, Claire and the MSDE board and Editorial office to collaboratively steward the journal to continued future success.”
– Andrew Ferguson



We would like to take this opportunity to thank our founding Editorial Board Chair Professor Juan de Pablo for his 8 years of service to the journal and wider molecular engineering community.


Interested to find out more about Claire and Andy’s latest research? Check out their recent papers published in RSC journals, all available to read for free either Open Access or until July 31st:

Computational design of self-assembling peptide chassis materials for synthetic cells
Mol. Syst. Des. Eng., 2023, 8, 39-52
Ma, Rohan Kapoor, Bineet Sharma, Allen P. Liu and Andrew L. Ferguson*

Beyond a heuristic analysis: integration of process and working-fluid design for organic Rankine cycles
Mol. Syst. Des. Eng., 2020, 5, 493-510
David H. Bowskill, Uku Erik Tropp, Smitha Gopinath, George Jackson, Amparo Galindo and Claire S. Adjiman*

Understanding and design of non-conservative optical matter systems using Markov state models
Mol. Syst. Des. Eng., 2022, 7, 1228-1238
Shiqi Chen, John A. Parker, Curtis W. Peterson, Stuart A. Rice, Norbert F. Scherer* and Andrew L. Ferguson*

How many more polymorphs of ROY remain undiscovered
Chem. Sci., 2022, 13, 1288-1297
Gregory J. O. Beran*, Isaac J. Sugden, Chandler Greenwell, David H. Bowskill, Constantinos C. Pantelides and Claire S. Adjiman

Data-driven discovery of cardiolipin-selective small molecules by computational active learning
Chem. Sci., 2022, 13, 4498
Bernadette Mohr, Kirill Shmilovich, Isabel S. Kleinwachter, Dirk Schneider, Andrew L. Ferguson* and Tristan Bereau*


Please join us in welcoming Claire and Andrew as they lead the journal to continued success, as well as in thanking Juan for his critical role in establishing MSDE as the journal of the molecular engineering community.

To keep up to date with the latest molecular engineering research and other journal news, sign up to our e-alerts.

Meet the MSDE Editorial Board

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Institute for Digital Molecular Design and Fabrication (DigiFAB) Launch Event

The MSDE Editorial Office was delighted to attend the virtual launch event for Imperial College London’s new Institute for Digital Molecular Design and Fabrication (DigiFAB) last month on Tuesday 18 May.

DigiFAB is a unique new institute dedicated to digital molecular design and fabrication. The institute is a key priority of Imperial College London’s Academic Strategy and it is a flagship project working across all faculties and departments. DigiFAB’s vision is to transform chemical design, discovery and manufacturing by moving away from slow, labour-intensive manual methods, to highly automated, data-driven approaches that capitalise upon advances driven by the Fourth Industrial Revolution and work with both academic and industrial partners. The Institute is underpinned by four research pillars: Automation; Data and Modelling; Synthesis and Processes; and Sensors and Characterisation Platforms.

The launch event began with opening remarks by Professor Ian Walmsley FRS, Provost of  Imperial College London followed by an introduction to the vision of the Insitute by the director of DigiFAB Professor Sophia Yaliraki. This was followed by a talk by Alex Broomsgrove, Head of Advanced Materials at the EPSRC, about Advanced Materials in the Research Funding Landscape.

Professor Sophia Yaliraki

DigiFAB director Professor Sophie Yaliraki outlines the strategic vision for the Institute, including the Imperial College London researchers involved in the Insitute and their respective areas of expertise

The first contributed scientific talk of the event entitled “Computers and automated synthesis, learning to work together to accelerate porous material discovery” was given by DigiFAB leads Dr Kim Jelfs and Dr Becky Greenaway (Check out their MSDE paper from last year entitled “Computational screening for nested organic cage complexes“)

After a short break, the Keynote talk entitled “Universal Synthesis Machines and Chemputation” was delivered by Prof. Lee Cronin FRSE, FRSC (Regius Chair of Chemistry, University of Glasgow). This was followed by a talk by Professor Donna Blackmond (The Scripps Research Institute and Chair of the DigiFAB External Advisory Board) entitled “Vision 2030: Opportunities and Challenges for Data-Rich Chemistry“. The event was then ended with closing remarks made by Professor Oscar Ces, Head of the Department of Chemistry at Imperial College London.

Professor Donna Blackmond

Professor Donna Blackmond from the Scripps Institute giving her talk entitled “Vision 2030: Opportunities for Data-Rich Chemistry”. Professor Blackmond is also an Editorial Board member of RSC sister journal Reaction Chemistry & Engineering.

If you were unable to join the launch event, you can watch the event on the Imperial College London YouTube Channel. For the full launch programme, speaker information as well as further information about the DigiFAB launch please visit:

You can subscribe to the DigiFAB mailing list and follow them on twitter @ImperialDigiFAB to hear about all their upcoming news and activities.

Check out the RSC’s recent Digital Futures report, which sets out to provide a more in-depth understanding of the long-term promise of and concerns about the use of data and digital technologies for scientific discovery.

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