Dr Domi Wappett

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Dr Domi Wappett

Dr Domi Wappett

@dawappett

Computational biochemistry postdoc at @uofmemphis / PhD from @unimelb 🇦🇺🏳️‍🌈 she/her

Memphis, TN Katılım Haziran 2019
224 Takip Edilen199 Takipçiler
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Dr Domi Wappett
Dr Domi Wappett@dawappett·
Now that my visa has been approved it’s time to announce that I’ll be starting a postdoc in April with @de_lab at the University of Memphis! Really excited to shift focus and start applying what I’ve learnt from my benchmarking with @lgoer_compchem in some proper enzyme modeling.
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DeYonkerLab
DeYonkerLab@de_lab·
Stoked to share the pre-print for our walkthrough and review of applications with RINRUS (residue interaction network residue selector) the Python package my group has been working on for ~10 years to standardize and automate QM-cluster model construction! chemrxiv.org/doi/full/10.26…
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DeYonkerLab
DeYonkerLab@de_lab·
The group shows RINRUS-generated QM-cluster models can match QM/MM results for a proton transfer in [Ni,Fe]-hydrogenase. The models are reproducible and they don't need to be 600-1000 atoms large! doi.org/10.1002/jcc.70…
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Lars Goerigk
Lars Goerigk@lgoer_compchem·
A solution to the TD-DFT overestimation problem for electronic excitation energies in BODIPYs (incl. predictions and exp. verification). Our new paper is out now: pubs.rsc.org/en/content/art…
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Prof. Amir Karton
Prof. Amir Karton@Lab_initio·
Need to quickly view XYZ coordinates without opening heavy software? Here's a simple online tool: just paste your xyz coordinates and see the 3D molecule A perfect resource for students, educators, and chemists 👉 labinitio.org/xyzview/ #CompChem #ChemEd #AcademicTwitter
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Jett Janetzki
Jett Janetzki@jjanet97·
Excited to share another paper from my PhD - out in Chemical Science! We report the first example of thermally- and light-induced valence tautomerism in an iron complex that occurs with a spin-state change. 💎🧲⚗️ pubs.rsc.org/en/content/art…
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Ariel Jones
Ariel Jones@ariel_cjones·
Yesterday I got to present my research at the lovely Burlington House @RoySocChem in London for their Faraday community poster symposium. A fascinating day!
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Lars Goerigk
Lars Goerigk@lgoer_compchem·
Goerigk Group end of year celebrations + celebrating @TwoThirdsDale's PhD...with special guest @dawappett who had arrived from the US earlier that day for her graduation tomorrow.
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Lars Goerigk
Lars Goerigk@lgoer_compchem·
(1/4). Congratulations, @TwoThirdsDale, on successfully completing all the requirements for the PhD for your thesis entitled: "The one-electron self-interaction error in density functional theory: investigations toward an empirical correction" #compchem more on his work see below
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DeYonkerLab
DeYonkerLab@de_lab·
In other news, my first paper with the brilliant @dawappett is in press and available online. A review in Annual Reports in Computational Chemistry on how RINRUS trims protein structures, and some of the great case studies we've done so far. authors.elsevier.com/a/1k2s05bwm8zG…
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Dr Domi Wappett
Dr Domi Wappett@dawappett·
very exciting to get a publication submitted so quickly in my first postdoc! keep your eyes peeled for our upcoming chapter in this year’s Annual Reports in Computational Chemistry
DeYonkerLab@de_lab

heck yeah! Submitted the first paper with postdoc @dawappett. We've been working together for less than 6 months! I wish the lab was bigger rn, but I guess we're doing quality over quantity. TJ's impactful but long-delayed 1st first author manuscript is right behind this one!

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Peter Gao
Peter Gao@PlanetaryGao·
whenever I have to send one of my python scripts to someone else
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DeYonkerLab
DeYonkerLab@de_lab·
We had our goodbye dinner with Atsu on Monday night. Excited about the good things he'll be working on with Ben Janesko at TCU! Ok, Michigan vacation time for me and the fam.
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Dr Marcus Giansiracusa
Dr Marcus Giansiracusa@mjgians·
Congratulations Dom on an amazing Honours project and the first completion seminar for the Giansiracusa research group!
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Lars Goerigk
Lars Goerigk@lgoer_compchem·
Congratulations , @amychancock, on delivering an excellent PhD completion seminar.
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DeYonkerLab
DeYonkerLab@de_lab·
@memphis_chem represented at the 52nd Southeastern Theoretical Chemistry Association (SETCA) meeting at Virginia Tech last week. @dawappett, Brinton Eldridge (2nd year grad in Yongmei Wang's lab), and TJ all won poster awards! Amazing!
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