Modeling Matters! @StackMatter
Matter Modeling Stack Exchange! materials.stackexchange.com Joined May 2020-
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@ghutchis! An @OpenBabel_org user tried to convert an XYZ file for 1000+ atoms and found that it took 48 hours! You might be interested! #compchem #Chemistry #materialsscience mattermodeling.stackexchange.com/q/9627/5
An excellent question! mattermodeling.stackexchange.com/q/7065/97 @StackMatter Would you be willing to take a crack at it, @GeoffHutchison
An interesting question: What GUIs are there for computational chemistry? mattermodeling.stackexchange.com/questions/7065… @EntosAI @StackMatter
An @AvogadroChem question at MMSE for #Linux users. Maybe @ghutchis knows the answer? #compchem #chemistry #Molecular mattermodeling.stackexchange.com/q/4802/5
@ghutchis An @AvogadroChem question on MMSE! #compchem #materialsscience mattermodeling.stackexchange.com/q/4570/5
My ideal publishing vision: 1. Everything on a field-specific pre-print server 2. Can be peer-reviewed 3. Clear indicator if it passes peer-review 4. Reviews made public 5. Can be perpetually updated w/ new DOI (re-review depends on scope of edits) 6. Allow (moderated) comments
@Andrew_S_Rosen Sounds a bit like MMSE, and the *publicly* peer-reviewed, mini-publications, perpetual edit capabilities, and moderated comments like this one by @janhjensen: mattermodeling.stackexchange.com/a/361/5
50 point bounty for this @AvogadroChem question! @ghutchis. #compchem #quantumchemistry #quantum #chemistry @OpenBabel_org @openbabel1 #Software #DFT #compphys #physics #Ubuntu #Linux #Git #AI #condmat @StackExchange #materialsModeling #chemo #materials mattermodeling.stackexchange.com/q/2163/5
@laura_mckemmish Did you get an answer yet? Why don't you ask at Matter Modeling Stack Exchange and use the "software-recommendations" and "python" tags? There's more than 2000 members there. mattermodeling.stackexchange.com/questions/tagg…
3. "What differences are there when modeling MOFs as isolated clusters or periodic solids?" mattermodeling.stackexchange.com/questions/3765…
2. "What are the pitfalls for the simulation of MOF materials with VASP?" mattermodeling.stackexchange.com/questions/3760…
@Andrew_S_Rosen @StackMatter this is awesome! I will share this stack exchange group with my students. grad students should share and document their knowledge widely for the progress of science!
A MOF trifecta has appeared on @StackMatter! I try to provide some insight below. 1. "Where to obtain MOF structures suitable for carrying out DFT simulations?" mattermodeling.stackexchange.com/questions/3763…
RDKIT: Please help us solve @StackMatter mattermodeling.stackexchange.com/questions/1926…
Interesting question! I’d have to dust a few books out to get this one mattermodeling.stackexchange.com/q/4245/52?stw=2 @StackMatter
@laura_mckemmish Could you post this question on @StackMatter mattermodeling.stackexchange.com I want to solve the same problem, so sending it out to more people might help.
I’m offering a bounty for computational methods to passivate surfaces @StackMatter #CompChem mattermodeling.stackexchange.com/q/4203/52
An interesting question: Which ensemble to use for a molecular dynamics simulation? mattermodeling.stackexchange.com/q/4252/52?stw=2 @StackMatter
Advice for any early-career academics!
My affiliation after I moved to another institution for Ph.D academia.stackexchange.com/q/158871?atw=1 #phd
A great question by @ndattani about @jay_chou and @linjunjie! Re-tweet !!!
Is there a word for Chinese songs that rhyme like Jay Chou's 迷迭香 and JJ Lin's 伟大的渺小? chinese.stackexchange.com/q/41578?atw=1 #word
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