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Congrats to Ben Coscia for his new publication! His work helped add some very nice theoretical justification to an interesting experimental nanostructured catalytic resin study: https://www.nrcresearchpress.com/doi/10.1139/cjc-2019-0408 …
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Thanks for all the great feedback, everyone! This is very useful!
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What engineering schools are there moving their computational mathematical instruction at the undergrad level away from MATLAB and towards Python? We're looking into this possibility at CU in chemical engineering, I'd love see what other schools are doing.
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I am currently interviewing for two exciting postdoctoral positions in my group, to look at transport in nanostructured separations membranes (https://jobs.colorado.edu/jobs/JobDetail/Postdoctoral-Associate/22282 …) and at nonbiological molecules that fold like proteins (https://jobs.colorado.edu/jobs/JobDetail/Postdoctoral-Associate/22277 …). Summer starts are OK!
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Pascal will be building on his work on GROMACS modular propagators to develop new hybrid MC/MD functionality, in particular making it possible to use general collective variable spaces that emerge from machine learning approaches!
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Congratulations to postdoc Pascal Merz, for being awarded a MolSSI Investment Software Fellowship! https://molssi.org/2020/01/08/congratulations-to-the-2020-a-molssi-investment-software-fellows/ …!
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Doesn't histogramming simulations to construct potentials of mean force seem a bit suspect? Check out our new preprint in arXiv on a Bayesian framework to construct statistically optimal smooth, continuous PMFs from umbrella sampling simulations. https://arxiv.org/abs/2001.01170
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The overall gender disparity in positive words isn't too big (12%). But interesting to see some words with higher frequencies (before correcting for other effects) that 'novel' is used by men 59% more . . .
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I do feel that there is, unfortunately, mostly upside in "upselling" the impact of research. Very hard to combat that without everyone taking more time to read papers and grants more carefully - and time is the thing that there is the biggest shortage of in science today.
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I feel there is very little new under the sun, and many claims of novelty just mean people didn't look through literature enough. So I wonder if the title of this (excellent!) article should be "Carry yourself with the confidence of a female scientist":https://www.theatlantic.com/health/archive/2019/12/male-scientists-are-their-own-hype-men/603715/ …
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Michael Shirts proslijedio/la je Tweet
Issue 2 is now live! Includes a couple great tutorials, a software analysis paper, and two “Lessons learned” articles. Please RT! Blog post here: https://www.livecomsjournal.org/post/389 Issue here: https://www.livecomsjournal.org/issue/1574
#compchempic.twitter.com/eWV5l7IMux
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Michael Shirts proslijedio/la je Tweet
Check out our new article, Check out our new tutorial, “Modeling electrostatics in molecular biology: A tutorial of DelPhi and associated resources”, https://www.livecomsjournal.org/article/10841-modeling-electrostatics-in-molecular-biology-a-tutorial-of-delphi-and-associated-resources-article-v1-0 …
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Michael Shirts proslijedio/la je Tweet
No other textbook, and possibly no other book, will ever have a better opening paragraph than Goodstein's "States of Matter":pic.twitter.com/XkjvEj6sZR
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Michael Shirts proslijedio/la je Tweet
Excited to be recruiting a synthetic chemist who will design and create host-guest systems to challenge computation, act as drugs, or do other cool things!https://bit.ly/2O54iFt
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Michael Shirts proslijedio/la je Tweet
We're looking for new postdocs! Please RT!https://twitter.com/jchodera/status/1192015158794694657 …
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Great work with student Nate Abraham leading off the session at AICHE on Computational Solid State Pharmaceutics!https://aiche.confex.com/aiche/2019/meetingapp.cgi/Paper/576630 …
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Very proud to be watching former PhD student
@ecdybeck present on his work at Pfizer since graduation!https://aiche.confex.com/aiche/2019/meetingapp.cgi/Paper/562227 …Hvala. Twitter će to iskoristiti za poboljšanje vaše vremenske crte. PoništiPoništi -
Two computational postdoc positions in the Shirts Group! One in nonbiological secondary structure thermodynamics (https://jobs.colorado.edu/jobs/JobDetail/Postdoctoral-Associate/22277 …) and another in solute transport in self-assembled nanoporous membranes (https://jobs.colorado.edu/jobs/JobDetail/Postdoctoral-Associate/22282 …). Please pass along!
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New paper from grad student Nate Abraham in my group on anharmonicity in the thermodynamics of molecular crystals!https://pubs.acs.org/doi/abs/10.1021/acs.cgd.9b00547 …
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Job listing for a computational protein design postdoc with a veterinary medicine company, but located right in my building at CU Boulder and with planned collaborations with me and other CU professors! https://zoetis.wd5.myworkdayjobs.com/en-US/zoetis/job/US-CO-Remote/Post-Doctoral-Researcher--Protein-Design---Functional-Mapping_JR00004988-1 …
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