I’m struck by the diversity of MSDE articles over the last year. As we enter our 10th anniversary, MSDE has truly become the home of molecular engineering research. We end the year with a themed collection celebrating Juan de Pablo and exciting plans for 2026 - Claire Adjiman, Editor-in-Chief 🎉

🧪New in MSDE! This study shows many atmospheric-water-harvesting studies misciting WHO and U.S. EPA drinking-water ion limits - urging for clearer, more rigorous reporting standards Great work by Brett L. Pollard, Luke A. Connal et al Read the full perspective article here 👉 doi.org/10.1039/D5ME...

🧬Method Spotlight MD simulations to understand the mechanism behind the enhanced thermostability of BrCas12b variant🧪 Read this insightful #OpenAccess article by Janani Sampath et al, 'Exploring the temperature stability of CRISPR-Cas12b using molecular dynamics simulations' doi.org/10.1039/D5ME...

🔙 #ThrowbackThursday 🧪 As we gear up for MSDE's last issue of 2025, let's revisit this #OpenAccess article from Issue 1 by Flavia Aleotti, et al, 'Is DFT enough? Towards accurate high-throughput computational screening of azobenzenes for molecular solar thermal applications'👉 doi.org/10.1039/D4ME...

Issue 11 of MSDE is now out🎃 Check out this cover article by Rui Zhang et al, 'Design of shape morphing of liquid crystal elastomers through pre-shaping methods' Read the full article here👉 doi.org/10.1039/D5ME...

Nanotech meets sustainability🧪 This MSDE article shows how nanotechnology-enhanced soft materials must be assessed end-to-end: production → use → disposal #molecularengineering Green synthesis + design for circularity = a big difference Great work by Imalka Munaweera et al. 👉 doi.org/10.1039/D5ME...

In honour of the 2025 #NobelPrize in Chemistry, we’ve curated a collection of impactful articles from across RSC journals on metal–organic frameworks (MOFs) 🏆 Free to read until the end of November 👉 pubs.rsc.org/en/jour...#NobelPrize

We were delighted to recently sponsor two poster prizes at the Molecular Engineering MRes final presentations at Imperial College London. Congratulations to Julien Alary for winning best presentation and Viveka Sivakaran for winning best poster! #MSDE #MolecularEngineering

Don't miss "Enhanced thermal response of 3D-printed bilayer hydrogels via nanoclay incorporation" by Francis Klincewicz, Subhash Kalidindi, Siyuan Liu, Kritee Sangroula and LaShanda T. J. Korley Read the #OpenAccess paper here 👇 pubs.rsc.org/en/content/a...

Do you want to stay ahead of developments in AI and learn first-hand experiences of applying them in your chemistry work? Join leading experts to discuss best practice tips for working across disciplines. Register now: https://rsc.li/4m2xzOU #ChemSky

Don't miss "Simulation and experimental evaluation of a freestanding triboelectric layer nanogenerator for self-powered electronics" by Kuldeep Singh, Akshpreet Kaur, Preetika Sharma and Gaurav Sapra Featured on the back cover of issue 9 of MSDE pubs.rsc.org/en/content/a...

Featured #OnTheCover of the latest issue of MSDE "Discovery of metal–organic frameworks for inverse CO2/C2H2 separation by synergizing molecular simulation and machine learning" by Daohui Zhao, Mao Wang, Zhiming Zhang and Jianwen Jiang Read the full paper here pubs.rsc.org/en/content/a...

Don't miss "Laterally shifted dipole effect on the three-dimensional microstructures of Janus magnetic colloidal suspensions" by Jose F. Menacho-Abanto, Ubaldo M. Córdova-Figueroa and Ronal A. DeLaCruz-Araujo Featured #OnTheCover of issue 9 doi.org/10.1039/D5ME...

We have now published our 'Outstanding Reviewers for Molecular Systems & Engineering in 2024' Editorial! You can read the Editorial here: pubs.rsc.org/en/content/a... Thank you to all of our reviewers for helping to preserve quality and integrity in our literature. 🧪 #MolecularSystemsEngineering

New screening method for carbon capture materials: Combines DFT + PC-SAFT to evaluate adsorbents in process context, not just by properties. Tested on a cement plant case—shows how modelling + optimisation can guide smarter material choices. 🔗 doi.org/10.1039/D4ME...

Spider silk–inspired materials that stiffen when wet? This new bio-based composite jumps from 70 to 400 MPa with moisture. "A bio-inspired approach to engineering water-responsive, mechanically-adaptive materials" by LaShanda Korley & co. 🔗 doi.org/10.1039/D4ME...

Check out this recent work by Yamil J. Colón & co. DynaMate is a modular AI framework that automates molecular research workflows—from setup to analysis. Built in Python, it’s flexible, customizable, and designed to save scientists time. 📖 pubs.rsc.org/en/content/a...

Don't miss this #OpenAccess paper by Camille Bilodeau & co! PepMNet predicts peptide properties from atomic structures—no human-crafted features needed. Great for non-natural peptides and complex mods. A big win for drug discovery. 📖 pubs.rsc.org/en/content/a...

👨‍🔬 Adsorption in soft porous coordination polymers How do flexible linkers affect gas adsorption? This recent paper uses molecular simulations to uncover stable adsorption states in SPCPs—key for gas storage and separation. 🔗 doi.org/10.1039/D4ME... #MSDE #PorousMaterials #GasStorage

🧪 Liquid-crystalline ion conductors Self-assembling smectic phases + lithium salts = 2D ion highways ⚡️ A recent study designs nanostructured electrolytes using carbonate-based liquid crystals - promising for quasi-solid-state batteries. 🔗 doi.org/10.1039/D4ME... #MSDE #Electrolytes #MaterialsDesign

A new multi-epitope vaccine design targets drug-resistant Salmonella 🧫 Abduldayeva et al. use immunoinformatics to model a stable, immunogenic construct against meningitis-causing strains. 🔗 doi.org/10.1039/D5ME... #VaccineDesign #ComputationalBiology

New insights into how protein segments flip across lipid bilayers! 🧬 Park & Van Lehn use simulations to reveal how marginal hydrophobicity and charged residues guide membrane translocation - paving the way for smarter peptide design. 🔗 doi.org/10.1039/D5ME... #MembraneBiophysics #SyntheticBiology

Many congratulations Claire!

We've collated all our recent #OpenAccess content into one place for easy access! Find the full collection here 👉 pubs.rsc.org/en/journals/...

Featured #OnTheCover of issue 7... "Vasoactive intestinal peptide amphiphile micelle material properties influence their cell association and internalization" by Xiaofei Wang, Bret D. Ulery, & co! Read the #OpenAccess paper here 👉 pubs.rsc.org/en/content/a...

Check out our collection of Open Access articles published in 2025! 🔓 All articles are published Gold Open Access and are completely free to read pubs.rsc.org/en/journals/...

Featured #OnTheCover of issue 7 of MSDE! "Elucidating the role of charge transfer on semiconductor properties in a new donor–acceptor cocrystal 1,5-dihydroxynaphthalene : TCNQ" by Arkalekha Mandal, Chris Erik Mohn, Carl Henrik Görbitz, Melania Rogowska and Ola Nilsen pubs.rsc.org/en/content/a...

Don't miss this #OpenAccess review by Jeffrey G. Saven, Kristi L. Kiick & co. 🔓 "Toward understanding biomolecular materials comprising intrinsically disordered proteins via simulation and experiment" Read the full review here 👉 pubs.rsc.org/en/content/a...

Very grateful and proud for your support @biomatersci.rsc.org + @msde.rsc.org + @rscpharmaceutics.rsc.org! Join us to explore cutting-edge science in #immunoengineering, connect with leaders and shape the future of the field!

We will be sponsoring the 1st MOBILIsE Symposium in Molecular Bioengineering devoted to immuno engineering along with @msde.rsc.org and @rscpharmaceutics.rsc.org 🧪⭐ 16-18 June 2025 🗓️ Submit your abstract by the 30th April! More details below 👇 @mobilise.bsky.social @i3suporto.bsky.social

Huge congratulations to the IChemE Junior Moulton Medal winners! 🏅 👏 Lauren M. Lopez 👏 Quan Zhang 👏 Orion Dollar Check out their amazing MSDE paper here: doi.org/10.1039/D3ME... Explore all the winners of the 2025 IChemE medals👇 www.icheme.org/about-us/new... 🧪#ChemSky

Abstract submission for the Molecular Systems Engineering Workshop in Paris is now open! Submit by 23rd April! With invited talks from MSDE and Soft Matter Editor-in-chiefs Claire Adjiman and @aljcrosby.bsky.social For more information visit 👉 www.rsc.org/events/detai... 🧪 #chemsky

Is DFT enough? Learn more in our new paper! doi.org/10.1039/D4ME...

Read the latest HOT articles here now! Free to access until 30th April! Now featuring work by Eva Blasco, Michael Webb, Takashi Kato and Junhong Chen rsc.li/msde-hot-art...

I am looking forward to working with @msde.rsc.org as Associate Editor —consider submitting your latest and greatest work in molecular systems design and engineering 🧪🥼 🧫 🤩

We are delighted to welcome Professor Kristopher Kilian (@kriskilian.bsky.social) to the Molecular Systems Design & Engineering Editorial Board as an Associate Editor!⭐ More information on Kris's research interest can be found on our webpage - www.rsc.org/journals-boo... #ChemSky 🧪

Hello #ChemSky 👋 MSDE is now here on Bluesky and you can find us @msde.rsc.org MSDE publishes work which establishes new understanding of molecular properties and behaviours, and uses this understanding to design and assemble better materials, systems, and processes to achieve specific functions.