Randall Snurr
@randallsnurr.bsky.social
John G. Searle Professor of Chemical & Biological Engineering at Northwestern University
🔬 Meet the Team! The NCCR Separations is delighted to introduce a member of our team each week. #NCCRSeparations #MeetTheTeam #Research #Innovation #Science #NCCRwomen #Sustainability #PhD #Postdoc #Teamwork #NCCR
🚀 NCCR Separations Kick-off Meeting It has officially started! The kick-off meeting was filled with inspiring scientific discussions, exchanges of ideas, and important conversations on the management aspects of the programme.
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.
LFIM - Wendy L. Queen@lfim-epfl.bsky.social · 7mo agoWe are delighted to announce the launch of NCCR Separations — a new National Center of Competence in Research dedicated to breakthrough separation technologies for a sustainable future! Read more: actu.epfl.ch/news/a-new-n... #NCCRSeparations #EPFL #GreenChemistry #EnergyTransition #ClimateTech
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
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...
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...
doi.org
New paper led by Kunhuan Liu as the last part of his PhD, looking at the effect of topology on H2 adsorption in MOFs.
MOF Papers@mofpapers.bsky.social · last yr.Computational investigation of the impact of metal–organic framework topology on hydrogen storage capacity http://pubs.rsc.org/en/Content/ArticleLanding/2025/ME/D5ME00078E
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.
MOF Papers@mofpapers.bsky.social · last yr.Understanding Pore Filling Processes and Adsorption/Desorption Hysteresis in Nanoporous Metal–Organic Frameworks: Insights from Grand Canonical Monte Carlo Simulations and Free Energy Calculations http://dx.doi.org/10.1021/acs.langmuir.5c01042
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.
Steve Cranford@cranfordmatter.bsky.social · last yr.Online now... .
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....
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...
tandfonline.com
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...
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.
MOF Papers@mofpapers.bsky.social · 2y agoImplementation of Genetic Algorithms to Optimize Metal–Organic Frameworks for CO2 Capture http://dx.doi.org/10.1021/acs.langmuir.4c04386
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!
MOF Papers@mofpapers.bsky.social · 2y agoExceeding flexpectations: a combined experimental and computational investigation of structural flexibility in 3-dimensional linker-based metal–organic frameworks http://pubs.rsc.org/en/Content/ArticleLanding/2025/SC/D4SC06360K
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
Exploring the potential landscape of chemical engineering science
Nature Chemical Engineering - As part of the first anniversary issue of Nature Chemical Engineering, we present a collection of opinions from 40 researchers within the field on what they think are...
rdcu.be
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
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
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...
Computational Chemistry and Machine Learning-Assisted Screening of Supported Amorphous Metal Oxide Nanoclusters for Methane Activation
Activating the C–H bond in methane represents a cornerstone challenge in catalytic research. While several supported metal oxide nanoclusters (MeO-NCs) have shown promise for this reaction, their opti...
pubs.acs.org
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!
