Randall Snurr

Excited to share that I'm co-hosting a 4‑day Mol Sim Workshop with RASPA at UMass Amherst, June 15–18, 2026, with David Dubbeldam, @randallsnurr.bsky.social, Sofia Calero, Thijs Vlugt, Zhao Li, Youri Ran.

Full program (iraspa.org/workshops/us...) and registration (r.bai.group/raspa-worksh...).

I'm very excited to be part of this new project led by Wendy Queen @lfim-epfl.bsky.social and Kumar Varoon Agrawal.

How about the delete key?

This sounds really cool. I look forward to reading it.

Journal of Chemical and Engineering Data? @pubs.acs.org

Applications for the Northwestern Sustainability and Energy Fellowships are now open through January 2026. Learn more at trienens-institute.northwestern.edu/research/ene...

#ClimateTech #Sustainability #PostDocOpportunity

I must admit that it never occurred to me to have a video for a software release, but this video is very cool!

The cover of the Feb 2012 issue of Nature Chemistry. A series of connectors in various colours are connected with short straight rods. Off to the side is a pile of different coloured connectors. The main cover line is: Every MOF you make.

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 🧪

Thanks to the audience for the great questions after my talk today!

Mason and Dixon? What state are you in? The GRC is in New Hampshire! 😉

A graphical summary of the manuscript.

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...

Generative AI for design of nanoporous materials: review and future prospects Generative artificial intelligence (AI) is emerging as a powerful tool for advancing the design of nanoporous materials such as metal–organic frameworks, covalent–organic frameworks, and zeolites. The...

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.

Let's hear your explanations, Andy.

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.

4 day weekends?

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.

I'm afraid no one cares, although I look quite good by some of the metrics they use.

Experimental and theoretical investigation of hydrogen sorption by SnO2 nanostructures in a metal–organic framework scaffold SnO2 nanostructures decorated with Pd clusters were installed in the porous metal–organic framework (MOF) material NU-1000 and investigated as hydrogen storage materials. The proposed concept is to...

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....

CoRE MOF logo

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!

You're probably not the only one!

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

This is really only an extension of *one* business day!

I remember attending this conference 30 years ago in Konstanz as a postdoc!

Registration will include many meals to promote interactions among participants.

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

I have written several papers with Fraser. Also Omar Farha.

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