peverati_research

Peverati Research Lab at Florida Tech.

Adventures in the density functional theory zoo.

"All models are wrong, but some are useful" – G. Box

[peverati_research @peverati_res]

@RealDayTrading Hi Hari, can you comment on the $MRNA trades you took this past week, are you still bullish on it?

[Faheem Ullah @Faheem_uh]

PhD Students - 8 tools to help you in your literature review.

Every PhD student needs to conduct a literature review.

A solid literature review takes at least 2-3 months. Using tools, you can reduce this time by 50%.

𝐂𝐚𝐭𝐞𝐠𝐨𝐫𝐢𝐳𝐚𝐭𝐢𝐨𝐧 𝐚𝐧𝐝 𝐫𝐞𝐥𝐚𝐭𝐢𝐨𝐧𝐬𝐡𝐢𝐩 𝐚𝐦𝐨𝐧𝐠 𝐩𝐚𝐩𝐞𝐫𝐬

1. @LitmapsApp

- Helps you find relevant papers from just a single paper
- Helps you to categorize the papers
- Works with your reference managers (Zotero, etc.)
- Visualize the relationship between papers.
- Share papers via reference manager.
- Get alerts about new papers to add to your literature review.

Link: https://t.co/djhByzyg7M

2. @ConnectedPapers

- Figure out the forward and backward links to a research paper.
- Quantitatively shows the relevance index of papers.
- Visualize the relations between the papers in your literature review.

Link: https://t.co/6EWn5B0Lc2

𝐅𝐢𝐧𝐝𝐢𝐧𝐠 𝐩𝐚𝐩𝐞𝐫𝐬 𝐟𝐨𝐫 𝐲𝐨𝐮𝐫 𝐥𝐢𝐭𝐞𝐫𝐚𝐭𝐮𝐫𝐞 𝐫𝐞𝐯𝐢𝐞𝐰

3. @R_Discovery

- Notifies you as soon as a relevant paper is published.
- Audio stream paper for you to listen to instead of reading.
- Translate papers automatically to your native language.
- Offers automatic integration with Zotero and Mendeley.

Link: https://t.co/1WiEBSyShJ

4. @Scite

- Shows you the most relevant papers to a seed paper.
- Determines for you whether other papers agree/disagree to a paper.
- Helps you understand the holistic work done by a lab/organization.
- Notifies you about latest papers published in your research area.

Link: https://t.co/anbwtUpw6w

𝐋𝐢𝐭𝐞𝐫𝐚𝐭𝐮𝐫𝐞 𝐑𝐞𝐯𝐢𝐞𝐰 𝐖𝐫𝐢𝐭𝐢𝐧𝐠

5. @teampaperpal

- Specifically designed for assisting in scientific writing
- Rephrase confusing sentences
- Offers real-time suggestions for smooth writing
- Simple and very easy to use

Link: https://t.co/QesC1s57yz

6. 𝐆𝐫𝐚𝐦𝐦𝐚𝐫𝐥𝐲

- Ensures your writing is polished
- Clean up tangled and hard-to-read sentences.

𝐑𝐞𝐟𝐞𝐫𝐞𝐧𝐜𝐞𝐬 𝐦𝐚𝐧𝐚𝐠𝐞𝐦𝐞𝐧𝐭 𝐟𝐨𝐫 𝐲𝐨𝐮𝐫 𝐥𝐢𝐭𝐞𝐫𝐚𝐭𝐮𝐫𝐞 𝐫𝐞𝐯𝐢𝐞𝐰

𝟕. @zotero

- Offers automatic citation capture from web pages, PDFS, and other sources.
- Organize and categorize references effortlessly

𝟖. @mendeley_com

- Integrates very easily with MS word
- Enables you to collaborate and share references with research teams.

[John Nicklow @FloridaTechPrez]

Fun visit with Bayside High students to talk about STEM education pathways and our new Brevard Boundless Opportunity Program. Thanks to @LMSjets for hosting!

[Katharine Hunt @KatharineLCHunt]

Emmy Noether’s proof connecting conservation laws to invariances is one of the most important results in twentieth century physics. Her contributions to abstract algebra were highly significant. #Noether #Noetherian_rings #Conservation_laws #invariances

[Prof. Lee Cronin @leecronin]

I’m of doing a zoomposium on Assembly Theory https://t.co/R82Nl8TBQe this Friday 13th Oct at 5 PM BST for 60 mins. Open to all. Zoom link here: https://t.co/Xy708dab9h Please like if coming & retweet to spread the word.

[peverati_research @peverati_res]

Many thanks to my student Dorothea and my collaborator Manasvi Lingam @FloridaTech, and also special thanks to @pathikbar & @mhg_group for inviting me to contribute to this special issue.

[peverati_research @peverati_res]

Just accepted in Mol Phys. I'm very proud of this work, especially b/c it will be included in a special issue dedicated to Dr. Tim Lee, one of my former collaborators and mentor, who suddenly passed away last year. #astrochemistry #compchem https://t.co/zoOAAC7Lqs

[peverati_research @peverati_res]

Long overdue, our next paper is finally out:

Comparison of the Performance of Density Functional Methods for the Description of Spin States and Binding Energies of Porphyrins https://t.co/u2tLmkL9zc #mdpimolecules via @Molecules_MDPI

[peverati_research @peverati_res]

This is the best answer to the"Everyone can do calculations"quote of Chef Gusteau's memory I've seen. This is why you can't just run GaussView and think your B3LYP/6-31G* calculation is good enough to publish, then call yourself a "computational chemist." #compchem

[J. Am. Chem. Soc. @J_A_C_S]

Why Is Quantum Chemistry So Complicated? @uofu_science @UtahChemistry @UUtah #JACSPerspective #Quantum #Chemistry https://t.co/aR3i5NF62N

[peverati_research @peverati_res]

This is shocking news... Godspeed Dr. Lee, you were a great scientist, colleague, and mentor. Deepest condolences to his Family and friends... @pathikbar

[Felipe Fantuzzi @felipefantuzzi]

AstroPAH #93 (@AstroPah) is out.
There you can find a tribute to the great Dr. Tim Lee, who sadly passed away ealier this month, and an In Focus article written by me.

Go grab your copy at:
https://t.co/bLN9Bk4Gc5

[peverati_research @peverati_res]

@physicsteo @ChemMiroChem I think they'll play against us on December 18th. I don't think there will be any other game of interest scheduled on that day... Or even better, we should organize a tournament with Belgium and Germany in there as well #alternateworldcup #sharethepain

[peverati_research @peverati_res]

Good to see #DensityFunctionalTheory making strides and getting recent mentions in the podcast-/youtube-/twitter-verses from two of my favorite scientists @seanmcarroll @skdh. Thank you! Our little field is looking for visibility! #DFT #compchem

[peverati_research @peverati_res]

@lgoer_compchem Congrats Lars!

[peverati_research @peverati_res]

@gagliardi8 @theNASciences @UChicago @UMNews Congratulations @gagliardi8!

[peverati_research @peverati_res]

@lgoer_compchem Lars, so sorry to hear this... 😔 It's happening more and more frequently these days, it happened to us recently as well. Uncivil behavior is unacceptable, we should all make sure that this does not become the norm for our field

[Florida Tech Research @FlaTechResearch]

Important #FloridaTech #research may give insight in enabling future designs of other molecules that can modulate #brain signals. https://t.co/l1R1NeyZLf

[peverati_research @peverati_res]

@JGBrandenburg @timgould_scienc @LeNhanPham1 Came here to say exactly this. Let's call it "the B3LYP effect," it has so much inertia that it's hard to convince people not to use it, since it's not the state-of-the-art anymore

[peverati_research @peverati_res]

@hokru_science @lgoer_compchem Multiwfn has a publication, I assume citing the publication will help funding better:
https://t.co/zawy4FIsrI

[peverati_research @peverati_res]

@lgoer_compchem Correction, Multiwfn is indeed open source, but yet I believe there are advantages in using gMultiwfn, if nothing else at least it's github based, while multiwfn's website is painfully slow

[peverati_research @peverati_res]

@lgoer_compchem I like Multiwfn, but it's closed source and I believe windows only. Best alternative IMO is gmultiwfn:
https://t.co/m06jBAvZQt