Want faster discoveries in materials chemistry? Our new work explores the use of data repositories throughout scientific literature – expediting knowledge, boosting collaboration, & saving resources. doi.org/10.1038/s42004… #FAIRdata #openscience

"Modern science is built upon the foundations of previous research". It is encouraging that FAIR (findable, accessible, interoperable and reusable) data practices are on the rise. doi.org/10.1038/s42004…

MD meets THz spectroscopy: Investigating solvent entropy contribution for the formation of Globular Protein condensates. Interesting for Liquid–liquid phase separation and I think these solvation effects are fascinating. doi.org/10.1021/acs.jp…

Target-oriented simulations - Collective Variables (CVs) with enhanced sampling in porous materials: pubs.rsc.org/en/Content/Art…

Modulation of Zr-MOF linker dynamics/rotation & photophysics by inclusion of fluorinated guests ! Rodríguez-Molina group Alonso Acosta Vera pubs.acs.org/doi/10.1021/ac…

#AusJChem speaker winner Konstantin Stracke at #IC24 from Uni of Adelaide “I study how molecules form structures like molecular LEGO using simulations, focusing on MOFs. They change forms with gases & temperature, revealing insights labs can’t easily see.” doi.org/10.1039/D4NR01…

Discovery of intermediate phases in MIL-53 and phase-specific positive and negative thermal expansion. Check out the full study in The Journal of Physical Chemistry pubs.acs.org/doi/full/10.10…

Proud to be part of this work. It's a deep dive into the story of reticular chemistry: its people, progress, and impact. A great read for anyone interested in the field: doi.org/10.1002/adma.2…

A restraint of occupation for supramolecular structures - systematic solvation control for cage compounds. Don’t just calculate ΔG for one guest… go 1️⃣, 2️⃣, 3️⃣, 4️⃣... with umbrella sampling 😄pubs.acs.org/doi/full/10.10…

Loading and confining bulky organic molecules into MOFs! This approach enables rapid and high-capacity loading beyond what's possible under atmospheric pressure. Great work - thanks all 🙌doi.org/10.1021/acsnan…