Oliver Beckstein [he/him]

We have an open position for an Assistant or Associate Professor in Experimental Quantum Science in the Department of Physics at Arizona State University (physics.asu.edu). Details & application at apply.interfolio.com/195358

Next up at #ACSFall2026: @ialibay.bsky.social's poster on MDAnalysis: 🗓️ Tuesday, Aug 25th from 6:00-8:00 PM CDT 🔸 COMP Poster Session 😎🎁🔥 Stop by early for FREE SWAG! And there's still time to RSVP for the MDAnalysis Meetup (with free dinner!) on Thursday, Aug 27th: forms.gle/dcon1PUUfddPgEh97

If you're in Chicago at the @acs.org meeting, check out these events with @mdanalysis.bsky.social folks.

The PSF Diversity & Inclusion Workgroup monthly office hours are next week on the PSF Discord! Join us August 25 9 PM UTC in #psf-diversity to chat, ask questions, and share what you're working on 🐍🗺️ #Python

We are running an in-person Molecular Nodes workshop! 🗓️ Sept. 17-18, 2026 🕐 Day 1: 10:00-17:00 BST, Day 2: 10:00-15:30 BST 📍 @kingscollegelondon.bsky.social, Strand Campus 💷 Free, with lunch and coffee ❗ Application Deadline: Sept. 4 at 23:59 BST 🔗 Register here: www.mdanalysis.org/2026/08/18/m...

New paper on SLC10 (bile acid) transporters. Based on a 9-TM prokaryotic protein, ASBT_LB (same topology as mammalian ASBT) we show standard alternating access outward facing and inward conformations with a curious proteo-lipidic binding site for bile acids authors.elsevier.com/sd/article/S...

We just had an inspiring #ASU commencement ceremony!

Tremendously excited to help launch the Open Source for Science Fund, led by a fantastic team with an extraordinary track record of supporting open source software for science.

Congratulations to all three of the #GSoC contributors who were accepted to work with MDAnalysis and @westpasoftware.bsky.social mentors this year! 👀 🔜 🤩 Keep an eye out for a blog post coming soon where you can learn more about each of the contributors and their projects.

Amber/26 and AmberTools/26 has been released! Lots of new features added. As always, free to academic, and now with new licensing options for industry. Go give it a try ! ambermd.org

Open position for Assistant Teaching Professor (non-tenure track) in the Department of Physics at Arizona State University in Tempe, AZ. apply.interfolio.com/185533 Deadline:June 1, 2026. Apply if you love teaching #physics & want to make a difference to a bright and diverse population of learners.

At #bps2026 : I loved the special acknowledgement of the @rcsbpdb.bsky.social and the MANY researchers who generated the experimental macromolecular structures that made it possible to build AI models for structure prediction.

MDAnalysis is participating in #GSoC 2026! 👉 Read our blog post for details on how you can apply to work with MDAnalysis through GSoC: www.mdanalysis.org/2026/02/19/g... 🗓️ Pre-proposals must be submitted by March 9. ❗For transparency and fairness, use public forums for all #GSoC communications.

Today's President’s Symposium: Communicating the Value of Biophysics in a Changing World features speakers who will discuss perspectives on the current crisis in US investment in science, and approaches for conveying the value of research to human health and prosperity.https://buff.ly/qcRp51M

I’m at the BPS2026 meeting @biophysicalsoc.bsky.social in San Francisco. Find me to talk science or if you want some @mdanalysis.bsky.social stickers.

It was a fantastic meeting. It was really great to see so many young and up-and-coming computational scientists all together, showing what they've been working on and learning what they could be doing. I am really happy how @mdanalysis.bsky.social has been bringing people together.

Our MDAnalysis User Group Meeting 2025 is in full swing in sunny Arizona ! www.mdanalysis.org/pages/ugm2025/

TLDR; The PSF has made the decision to put our community and our shared diversity, equity, and inclusion values ahead of seeking $1.5M in new revenue. Please read and share. pyfound.blogspot.com/2025/10/NSF-... 🧵

We're happy to announce the new 2.10.0 release of the MDAnalysis library www.mdanalysis.org/2025/10/26/r... It contains performance improvements, more parallel analysis tools, and the IMDv3 stream reader for directly processing running simulations. Thanks to 25 contributors, 16 of which were new!

If you're doing #alchemistry (alchemical free energy calculations) then here's release 2.5.0 of alchemlyb for you. github.com/alchemistry/... (There's also the alchemlyb @joss-openjournals.bsky.social paper doi.org/10.21105/jos... if you want to read & cite.)

Come to the @mdanalysis.bsky.social User Group Meeting at Arizona State University in November. See www.mdanalysis.org/2025/07/15/u... for our keynote speakers and more updates. Great opportunity for junior researchers to present their work and to network with the MDAnalysis community.

Ricky Sexton (in collaboration with Mohamadreza Fazel, Maxwell Schweiger and Steve Pressé at ASU) devised a Bayesian nonparametric analysis to robustly and accurately protein-lipid interactions (residence times) from MD simulations – see doi.org/10.1021/acs.... .

KLAXON 🚨: Indie SAGE has come out of retirement to release a new short report standing up for diversity, equity and inclusion (DEI) in the sciences! DEI is not just the right thing to do, it *improves* the quality of the science. Please read and share. independentsage.org/wp-content/u... 1/2

You literally cannot tell this incredibly cool part of American history without centering Native American identity. It is an powerful demonstration of how diversity provided tangible military advantages over an enemy committed to White supremacy. donmoynihan.substack.com/p/whitewashi...

MDAnalysis 2.9.0 (and its blog post) is out: www.mdanalysis.org/2025/03/11/r...! Includes: * Additional Gromacs/distopia/parallel analysis support * New "water"/"precision" keywords 🙏 to the release's 10 contributors (3 new), and to @numfocus.bsky.social/@chanzuckerberg.bsky.social for support.

@biophysicalsoc.bsky.social you need to be sharing at the conference this week like our lives depend on it. Because they do. Speak up. Stand up. Get out there and protect out democracy

There are three ways to ultimate success: The first way is to be kind. The second way is to be kind. The third way is to be kind -Fred Rogers

Just shut down for good my twitter account. Live's too short to keep social media accounts that have outlived their time.

🎉 Small Development Grant by @numfocus.bsky.social for Advanced Molecular Visualizations with #MolecularNodes and @blender3d.bsky.social! @yuxuanzhuang.bsky.social and @bradyajohnston.bsky.social will build an API & integrate with @projectjupyter.bsky.social. See www.mdanalysis.org/2024/12/12/s...

I had a hard time finding women physicists here. So I made a starter pack for #female and #under-represended #minorities in #physics, in short #FURMIP. Please spread the word and let me know if you would like to be added. go.bsky.app/2JeYsDz

A reminder that the most productive science is done in collaborations

Very pleased that our MDverse project was awarded a prize for Open Science

I'm fuming about another email chain with someone asking me for help with some scientific software I support, so I suppose it's a good time to repost this essay I wrote about how to be a good member of a software community: livecomsjournal.org/index.php/li...

We released MDAnalysis 2.8.0 🚀 See the blog post www.mdanalysis.org/2024/11/22/r... . Highlights: (1) all code under the GNU Lesser General Public License, (2) new Guesser API, (3) general parallelization for analysis tools, (3) DSSP analysis class, (4) more MDAKits.

📢📢 Registration for #mdaUGM2024 is now open! Join us in London from 21-23 Aug to talk about all things MDAnalysis. You also won't want to miss the talks from our keynote speakers, Drs. Antonia Mey and Francesca Stanzione. Register now to secure your place: www.mdanalysis.org/pages/ugm202...

Register for our joint MDAnalysis/MolSSI workshop at Arizona State University on June 24th-25th 2024. Attendance is free, travel bursaries are available, register for in-person or online attendance at www.mdanalysis.org/2024/05/14/A... Registration deadline is soon, May 27, 2024.

Save the date: June 24th & 25th: Joint MDAnalysis/MolSSI workshop at Arizona State University. Details to follow. www.mdanalysis.org/2024/04/24/A...

Submit your abstract to present at the 2024 @mdanalysis.bsky.social User Group Meeting in London. I so look forward to seeing what everybody is up to!

MDAnalysis will be in GSoC 2024! Do you have experience with MD or other simulations, and like coding to solve problems in biophysics/chemistry/materials? Read our blog on how to apply to work on MDAnalysis: www.mdanalysis.org/2024/02/27/g... Start early! Pre-proposals are due by March 15th.

Do you know some Python but want to learn about analyzing and visualizing molecular simulation data? Join us Feb 28 at 3:00 UTC for a free workshop on a basic workflow with MDAnalysis and Molecular Nodes! Spots are limited, so make sure to apply before Feb 19: www.mdanalysis.org/2024/02/05/m...

Looking for some good Friday reading? Check out the amazing work Xu Hong and Egor completed during the GSoC 2023 program: www.mdanalysis.org/2024/01/18/g... Also, please get in touch with us if you are interested in #mentoring with MDAnalysis for the GSoC 2024 program!

🗓️ Save the date for #mdaUGM2024 ! 🗓️ The MDAnalysis UGM 2024 will take place August 21-23, 2024 in London, UK at King's College London, in partnership with the Thomas Young Centre! Stay tuned for updates. www.mdanalysis.org/blog/#save-t...

Happy new year to everyone! Enjoy MDAnalysis 2.7.0 www.mdanalysis.org/2024/01/04/r... now with Python 3.12 support, GROMOS11 file format reader, improved nucleic acid analysis, bug fixes and more enhancements. Special thanks to 5 new contributors!

The MDAnalysis Project started Phase II in its effort to relicense the MDAnalysis package from GPLv2+ to LGPLv2.1+. We are now sending out emails to our ~200 contributors. PLEASE reply when you get one! (See details in our September blog post www.mdanalysis.org/2023/09/22/l... ). THANK YOU!

NSF published a memorandum on the use of generative AI in peer review (don't do it!) and proposal preparation (please tell them if you do and remember that YOU're responsible for plagiarism & fabrication!) new.nsf.gov/news/notice-... ; mostly in line with NIH nexus.od.nih.gov/all/2023/06/...

Linux Foundation forms the High Performance Software Foundation www.linuxfoundation.org/press/linux-... — "to build, promote, and advance a portable software stack for high performance computing (HPC) by increasing adoption, lowering barriers to contribution, and supporting development efforts."