STOP RUSSIAN PROPAGANDA! we are calling you to take a part of peaceful protest against russian propaganda. 28/05/2024 19:00 Theater Amsterdam. Like boost repost Come in person and take friends with you. Theater Amsterdam shame on you for not canceling the event.

Russia keeps bombing Kharkiv unpunished

Putin may spread any lies, but here are his actions. Barbaric war crimes against civilians. Large shopping mall in Kharkiv. Saturday. Heinous strike to ensure maximum casualties. He can’t occupy Kharkiv, hence he tries to kill it. There are two ways for Ukraine’s partners to

I wholeheartedly agree with Mariana Mazzucato that we should better evaluate tech companies contributions. But the focus on energy use makes a mountain out of a molehill while we have bigger fish to fry. I see computing as both a huge opportunity and an existential threat. 🧵

Artificial Intelligence Driving Materials Discovery? Perspective on the Article: Scaling Deep Learning for Materials Discovery #AI By Anthony K. Cheetham & Ram Seshadri UC Santa Barbara Cambridge University Read the Perspective 👉 go.acs.org/9LK

Wow, @nature has retracted the 2020 Poore et al. cancer microbiome paper that we showed (journals.asm.org/doi/10.1128/mb…) was deeply flawed. The retraction date is tomorrow so I can't yet read the official notice, but I'll update when I can Retraction Watch Professor Booty PhD

Great result from Orbán Viktor ‘s peace mission: Putin bombs a children’s hospital… the most horrid attack of the whole war. Putin knows no peace, only submission… and Orbán is the willing accomplice.

Signed by over 120 experts, our letter highlighting the urgent need for a collaborative effort to establish a #FAIR database for #MolecularDynamics simulation data, is now on Arxiv. 📎 Read it here: bit.ly/3WjcC7x 📝Support our statement: bit.ly/3zVS3qm #MDDB

On the way to #ACSFall2024. Looking forward to meeting friends and making new ones. On Thursday (4110400) I will present our (Riccardo Alessandri 🇺🇦, Jan Stevens, PauloCTSouza) advances on #polyplyMD for macromolecule modeling. Drop me a DM for anything #Martini3 you wann talk about.

Shocking toll from Russian bombs against a residential building in #Kharkiv yesterday. Such attacks against civilian targets is why during our informal EU Ministers’ meetings, Ukraine asked again for lifting restrictions on use of Western weapons, in self-defence . 1/2

Congratulations to Jack on his fantastic publication in pnas, showing how perpendicular crossing chains enable high mobility in a non-crystalline conjugated polymer! #SolarEnergy #ChargeTransport doi.org/10.1073/pnas.2…

Nothing about the flood of transshipments from the EU to Russia is inevitable. Here's Finland. No export boom to Central Asia and the Caucasus (blue). The flood of transshipments from the EU to Russia is just about a lack of political will. Finland has that political will. Kudos!

MD simulations remain poorly shared, deficiently reproducible, and devoid of history. Together with Luis Walter and @JFRudzinski, we built Martignac: a computational workflow manager for CG Martini arxiv.org/abs/2409.15478 🧵

We are back! Drop by Northwestern Chemistry Ryan 4003 tomorrow for the first Northwestern Theoretical Chemistry Seminar Series talk of the quarter. Riccardo Alessandri 🇺🇦 will telling us all about Multiscale Modeling of Radical-Containing Polymeric Mixed Conductors.

The Team and Northwestern Chemistry were well represented at the marathon last weekend (the official one in Chicago as well as the one in Des Plaines). Way to go Connor, @alex_krotz, and Anna Bondarenko 🇺🇦!

This work by Boris Kramar and Team member Anna Bondarenko 🇺🇦 shows unexpected linker-to-node hole transfer in a Zr-based MOF, with potential ramifications to energy transfer. Out in The Journal of Physical Chemistry. Northwestern Chemistry U.S. National Science Foundation #MOFs pubs.acs.org/doi/full/10.10…

📢 New preprint alert! We have just released a preprint on new Martini 3 coarse-grained models for carbon nanomaterials. Here, we’ve developed updated models for fullerene, carbon nanotubes, and graphene compatible with the latest Martini 3 force field. chemrxiv.org/engage/chemrxi…