Ganna (Anya) Gryn’ova 🇺🇦
@grynova.bsky.social
2.4K followers 490 following 94 posts
Associate Professor of Computational Chemistry, University of Birmingham https://www.grynova-ccc.org/ views my own
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grynova.bsky.social
Today’s #JournalClub from Gregor discusses accurate and affordable composite #DFT (3c) methods for molecules and materials from @grimmelab.bsky.social #compchem www.grynova-ccc.org/journal-club...
grynova.bsky.social
A rare occasion when the chemistry Nobel is awarded to actual chemistry! Big win for the framework materials!
Reposted by Ganna (Anya) Gryn’ova 🇺🇦
shuberlab.bsky.social
Please check this announcement for an early-career group leader, hosted jointly by our cluster of excellence RESOLV and the MPI Kofo. The thematic focus should be on catalysis: jobs.ruhr-uni-bochum.de/jobposting/4...
Early Career Research (ECR) Group Leader position (m/f/d) with the thematic focus on “Catalysis” within the Cluster of Excellence RESOLV
jobs.ruhr-uni-bochum.de
grynova.bsky.social
Schwaller and Laino address it in their paper (cited in my slide deck), concluding that not enough studies report this cost to do a proper analysis.
grynova.bsky.social
No better way to kick off the #SusML workshop in Dresden than with a talk by Anatole von Lilienfeld on the magnificent 7 of #chemical #ML!
grynova.bsky.social
Very proud of newly minted Dr. Fedorov @chemwedding.bsky.social who successfully defended his PhD thesis on #machine_learning for organic electrode materials this week @hitsters.bsky.social @uniheidelberg.bsky.social
Reposted by Ganna (Anya) Gryn’ova 🇺🇦
kavanaghsean.bsky.social
I will be joining the University of Cambridge as an Assistant Professor in the Yusuf Hamied Department of Chemistry! 🧪🎉

𝐈 𝐚𝐦 𝐚𝐜𝐭𝐢𝐯𝐞𝐥𝐲 𝐫𝐞𝐜𝐫𝐮𝐢𝐭𝐢𝐧𝐠 𝐬𝐭𝐮𝐝𝐞𝐧𝐭𝐬, and am very keen to support fellowship applications – visit our website for details! ⬇️
grynova.bsky.social
Our symposium on #ML for #materials at #IMRC2025 went great - big thanks to my fellow co-organisers Huziel Sauceda and @gabrielmerino.bsky.social, and 👏🏻 to the amazing speakers Claudia Draxl, Alex Tkatchenko, Qian Yang, Valentin Vassilev-Galindo, and others. Proud to reach gender parity in talks!
grynova.bsky.social
@clarakirkvold.bsky.social and I are proudly representing @uobchemistry.bsky.social and enjoying excellent science at the #IMRC2025
grynova.bsky.social
Gotta love the condescending AIsplaining #LLMfail
grynova.bsky.social
Excellent talk by @clarakirkvold.bsky.social at #IMRC33 on our PHuN new representation for #ML on ordered #materials #MOFs #COFs, preprint coming very soon!
grynova.bsky.social
#IMRC33 opens in warm, sunny, and very humid Cancún!
Reposted by Ganna (Anya) Gryn’ova 🇺🇦
waltherlab.bsky.social
Become my colleague!!! We are recruiting in a junior faculty level. Junior Professor for Theoretical Chemistry of Macromolecular and Supramolecular Systems
#simulations #theory #noneqsys #assistantprofessor #chemjob
Thank you for sharing this.

berufungsportal.uni-mainz.de/ausschreibun...
grynova.bsky.social
In this week’s #JournalClub @jeanquertinmont.bsky.social discusses resolution of identity / density fitting approaches #compchem with a special focus on @orca-qc-official.bsky.social www.grynova-ccc.org/journal-club...
Reposted by Ganna (Anya) Gryn’ova 🇺🇦
mrclmllr.bsky.social
After years of development and preparatory works which you might have seen on this profile, a major milestone is achieved:
g-xTB marks not just an evolution, but a revolution in the capabilities of semiempirical quantum chemistry. Convince yourself! A thread.
🔗 chemrxiv.org/engage/chemr...
#compchem
g-xTB: A General-Purpose Extended Tight-Binding Electronic Structure Method For the Elements H to Lr (Z=1–103)
We present g-xTB, a next-generation semi-empirical electronic structure method derived from tight-binding (TB) approximations to Kohn–Sham density functional theory (KS-DFT). Designed to bridge the ga...
chemrxiv.org
grynova.bsky.social
Great talk by @mollart.bsky.social at #UKPorMat @uobchemistry.bsky.social on how layer arrangement affects the band gaps in 2D #COFs #compchem
Reposted by Ganna (Anya) Gryn’ova 🇺🇦
grynova.bsky.social
In today’s #Journal_Club Stiv Llenga reviews #quantum-inspired #representations #ML #chemistry feat. papers by Miller, von Lilienfeld, @insilphotochem.bsky.social, Penfold, Ribas-Arino, @corminboeuf-lab.bsky.social et al. www.grynova-ccc.org/journal-club...
Reposted by Ganna (Anya) Gryn’ova 🇺🇦
Reposted by Ganna (Anya) Gryn’ova 🇺🇦
Reposted by Ganna (Anya) Gryn’ova 🇺🇦
rsc-pormat.bsky.social
***REGISTRATION EXTENDED! Final deadline 23rd May***
rsc-pormat.bsky.social
#UKPorMat2025 is fast approaching & registration is still open at the moment

ukpormat.com

Not only do we have an outstanding invited speaker list, we're delighted to be able to advertise the rest of our fantastic lineup.