Last bit of MOF stuff for the day… this is one of my very favourite cover lines from back when I was the Chief Ed of @natchem.nature.com… - was incredibly fitting for the paper too (rdcu.be/eJ4zt by @randallsnurr.bsky.social and co-workers) #chemsky 🧪

In our latest featured article, Wang, Snurr et al. review the wide range of approaches to the use of generative AI in designing porous materials, and offer a perspective on incorporating these tools with experimental work. doi.org/10.1039/D5DD...

This new review article was led by high school student Evan Xie and Xijun Wang. Also with Ilja Siepmann and Haoyuan Chen @chemchen.bsky.social. I think it's a timely review of powerful new tools in a rapidly growing research area. doi.org/10.1039/D5DD...

New paper led by Kunhuan Liu as the last part of his PhD, looking at the effect of topology on H2 adsorption in MOFs.

Latest paper in from Zhao Li, along with Ilja Siepmann and undergrad Jake Turner. I continue to learn more about adsorption hysteresis and how useful TMMC simulations can be.

There is a lot in this paper beyond just an updated set of MOF structures. For example, we introduce a new version of MOFid that should be more useful for ML and data analytics. Check it out.

New paper w/ Goncalves, Chen, Chapman, Hupp on materials for room-T H2 storage. We don't claim these materials are ready for practical application, but I hope the ideas in the paper might inspire other people working on this difficult and long-standing problem. www.tandfonline.com/doi/full/10....

The latest CoRE MOF database version is out! A curated experimental MOF database with machine-learned properties for integrated material-process screening, published in @cp-matter.bsky.social 🔗 doi.org/10.1016/j.ma...

A beautiful Spring day at Northwestern!

Early registration for the Diffusion Fundamentals conference ends April 1st. Registration includes breakfast and lunch every day, refreshments during the poster session, and the conference dinner. Also, just announced: pre-dinner talk by Julio Ottino! diffusionfundamentals11.org

Abstract deadline for Diffusion Fundamentals XI "Spreading in Nature, Society and Technology" is this Friday, February 28! Come join us on the shores of Lake Michigan for 3 days of interdisciplinary talks and posters on all things diffusion. diffusionfundamentals11.org

Nice new work from Thang Pham, expanding our understanding of genetic algorithms to optimize MOFs for CO2 capture.

Abstract deadline for Diffusion Fundamentals XI extended to February 28! Come hear invited talks by Alberto Striolo and Eric Vanden-Eijnden (among others). diffusionfundamentals11.org

Nice new work from Courtney Smoljan, Filip Formalik, Omar Farha, and team. Wasn't sure if journal would let us use this title!

Looking forward to these health-related talks at the Diffusion Fundamentals XI conference this summer: Dirk Brockmann on spatial dynamics and the Covid-19 pandemic and Sabina Hrabetova on using diffusion to study the brain’s extracellular space. Abstracts due Feb 15! diffusionfundamentals11.org

It was fun thinking about opportunities ahead for the field of chemical engineering for the first anniversary issue of @natchemeng.bsky.social rdcu.be/d7O59

Happy to announce that Dorit Brixius (@tudresden.bsky.social) will give a Keynote at the Diffusion Fundamentals conference on "The Danger of Diffusion Models in the History of Global Science." Conference is June 30 - July 2. Join us! Abstracts due February 15. diffusionfundamentals11.org

Very happy to have Stefano Brandani as a Keynote Lecturer at the Diffusion Fundamentals XI conference. He'll speak on "The Ruthven number: An essential quantity in determining diffusion coefficients in nanoporous materials using uptake experiments." Abstracts due Feb 15. diffusionfundamentals11.org

I have a visitor outside my office window!

Abstract submission is now open for the Diffusion Fundamentals XI Conference "Spreading in Nature, Technology and Society." diffusionfundamentals11.org Please submit your one-page abstract for an oral or poster presentation as a pdf by February 15: bit.ly/40dtkr1

Carbon capture on the front page of @nytimes.com today. www.nytimes.com/2024/12/22/c...

In this new paper in ACS Catalysis, XijunWang, @kaihangs.bsky.social, and Anyang Peng tackle some of the challenges in modeling supported amorphous metal oxide nanoclusters for methane activation. pubs.acs.org/doi/abs/10.1...

As my first post on @bsky.app, I'm happy to announce the publication of a paper describing the new (very fast!) GPU version of our RASPA simulation code, gRASPA. Congratulations to Zhao Li and the team!