David Swenson (@davidswenson) profile picture

I like to post incongruous quotes from scientific journals.

Joined January 2008
Photo by David Swenson (@davidswenson)Photo by David Swenson (@davidswenson)
At #ACSChicago? Check out @davidswenson talking about the latest on OPS in S404a at 4:40pm today! #ACSFall2022
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Well, this is the most morbid test code I've ever written (#GitHub API integration test).
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In part 2 of our 3-part tutorial about our new storage system and our CLI, @davidswenson shows you how to use the OPS command line interface to get from a single snapshot to running RETIS simulations. Check it out! youtube.com/watch?v=VGN-NfuZ…
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Check out part 1 of a 3-part tutorial about our new storage (SimStore) and our CLI. In this one, @davidswenson tells you how to set up a simulation that uses SimStore. Parts 2 and 3 coming soon! youtube.com/watch?v=IAipZfZp…
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OPS 1.5 has been released! This is a significant release with lots of improvements. Highlights are (1) "Spring shooting" algorithm; (2) "Hooks" to customize the simulation process, providing great flexibility. github.com/openpathsampling/…
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As a follow-up to this month's @MolSSI_NSF school on rare event methods & software, there will be an OPS tutorial session led by @jocelyne_vreede, @davidswenson, and PG Bolhuis on 22 June at 15:00 GMT (11am EDT, 5pm CEST). Sign up by Sun 20 June to join! forms.gle/HCMAXk46NX31UqXS9
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Sign up to learn about OPS and other software for rare events! There will also be an OPS tutorial on June 22; details in the MolSSI link.
Profs. L. Chong & D. Zuckerman have organized a FREE 2-day (June 8/15) “Virtual School on Open-Source Software for Rare-Event Sampling Strategies,” sponsored by the MolSSI. Applications deadline: May 15. Visit our website for more information and to apply! molssi.org/event/molssi-scho…
Maybe I should have RT’d more of these newsletters. But I show up 3 times in this issue! Can you find all 3?
Our April Newsletter is out 📰 !! Take a look at 👉 e-cam2020.eu/?mailpoet_route…
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I like the fact that Twitter says, “hey, maybe you want to read that article before retweeting it?” But it’s kind of funny when I *wrote* the article.
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David Swenson retweeted
A new E-CAM publication is out: Transition Path Sampling as Markov Chain Monte Carlo of Trajectories: Recent Algorithms, Software, Applications, and Future Outlook onlinelibrary.wiley.com/doi/… with @davidswenson (@ENSdeLyon) and Peter Bolhuis (@UvA_Amsterdam)
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David Swenson retweeted
Replying to @davidswenson
@davidswenson E-CAM researcher at @ENSdeLyon will be presenting at the @APSphysics meeting this Wed 17th during a session dedicated to Rare Events Kinetics. His talk "Switching Channels in TPS: Rare events within rare events", will be live at 5:12 pm CDT meetings.aps.org/Meeting/MAR…
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David Swenson retweeted
Didn’t have the chance to register to our seminar TODAY on High Throughput Computing with #Dask? Watch it live on YouTube from 15:00 CET at youtu.be/Tl8rO-baKuY More info at cecam.org/workshop-details/1… @dask_dev @cecamEvents @davidswenson
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A series of online tutorials I’m helping to organize. Still time to sign up for the first one!
High-throughput computing is a flexible approach to parallelisation. Our workshop "High Throughput Computing with Dask" will happen as a series of online tutorials which will help you use task-based computing with @Dask. 1st event happens on the 21st Jan 👉cecam.org/workshop-details/1…
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Reminder: This starts tomorrow! 14:00 UTC (3pm Europe, 9am Eastern) YouTube links on the workshop page.
Happy New Year! Start it off with the new release (v0.2) of the OPS command line interface. The new command `md` runs until a trajectory matches the given ensemble; great for setting up sims. Also new: support for SimStore files. github.com/openpathsampling/…
David Swenson retweeted
I wrote this for the Washington Post about what the history of veterinary quarantines can tell us about how to respond to COVID-19. Please read and share! washingtonpost.com/outlook/2…
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After a @fivethirtyeight post about uncertainty in expert predictions re: COVID-19, I reanalyzed the data based on now-known error in those predictions. Not a serious estimate of death toll, but a warning of uncertainty on the high end. hyperblazer.net/2020/covid-1…