Ganna (Anya) Gryn’ova 🇺🇦
@grynova.bsky.social
Associate Professor of Computational Chemistry, University of Birmingham
https://www.grynova-ccc.org/
views my own
https://www.grynova-ccc.org/
views my own
Latest #JournalClub by Liza Surzhikova visiting us from TU Braunschweig is on #activelearning and its uses in #chemistry www.grynova-ccc.org/journal-club...
November 12, 2025 at 1:55 PM
Latest #JournalClub by Liza Surzhikova visiting us from TU Braunschweig is on #activelearning and its uses in #chemistry www.grynova-ccc.org/journal-club...
In last week’s #JournalClub, Stiv Llenga discusses the power of #xAI in #chemistry, feat. Müller, Doyle, @pschwllr.bsky.social @andrew.diffuse.one , Ruffin, and others www.grynova-ccc.org/journal-club...
October 28, 2025 at 6:02 PM
In last week’s #JournalClub, Stiv Llenga discusses the power of #xAI in #chemistry, feat. Müller, Doyle, @pschwllr.bsky.social @andrew.diffuse.one , Ruffin, and others www.grynova-ccc.org/journal-club...
Oh this is so cool!!! The best I ever managed was this “graphene” for a TOC image.
October 22, 2025 at 7:08 PM
Oh this is so cool!!! The best I ever managed was this “graphene” for a TOC image.
I had a blast presenting our work with @mollart.bsky.social and @michelle-ernst.bsky.social on #COF and #MOF at the vdW/L Discussions! Thank you Alex and Mirela for having me!
October 17, 2025 at 8:21 AM
I had a blast presenting our work with @mollart.bsky.social and @michelle-ernst.bsky.social on #COF and #MOF at the vdW/L Discussions! Thank you Alex and Mirela for having me!
October 15, 2025 at 11:48 AM
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...
October 9, 2025 at 2:38 PM
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...
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
September 26, 2025 at 7:32 AM
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
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!
August 20, 2025 at 7:15 PM
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!
@clarakirkvold.bsky.social and I are proudly representing @uobchemistry.bsky.social and enjoying excellent science at the #IMRC2025
August 20, 2025 at 4:52 PM
@clarakirkvold.bsky.social and I are proudly representing @uobchemistry.bsky.social and enjoying excellent science at the #IMRC2025
Excellent talk by @clarakirkvold.bsky.social at #IMRC33 on our PHuN new representation for #ML on ordered #materials #MOFs #COFs, preprint coming very soon!
August 19, 2025 at 3:08 PM
Excellent talk by @clarakirkvold.bsky.social at #IMRC33 on our PHuN new representation for #ML on ordered #materials #MOFs #COFs, preprint coming very soon!
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...
July 4, 2025 at 8:10 AM
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...
Great talk by @mollart.bsky.social at #UKPorMat @uobchemistry.bsky.social on how layer arrangement affects the band gaps in 2D #COFs #compchem
June 4, 2025 at 1:17 PM
Great talk by @mollart.bsky.social at #UKPorMat @uobchemistry.bsky.social on how layer arrangement affects the band gaps in 2D #COFs #compchem
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...
May 29, 2025 at 4:02 PM
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...
In today’s #good_practices #Journal_Club @clarakirkvold.bsky.social discusses the #FAIR #data principles and their implementations in #chemistry www.grynova-ccc.org/journal-club...
May 14, 2025 at 5:45 PM
In today’s #good_practices #Journal_Club @clarakirkvold.bsky.social discusses the #FAIR #data principles and their implementations in #chemistry www.grynova-ccc.org/journal-club...
In the latest #JournalClub, Ovidiu Tirnovan delves deep into the methodologies for an accurate estimation of a fundamental property - #enthalpy of #formation #compchem www.grynova-ccc.org/journal-club...
May 6, 2025 at 7:01 AM
In the latest #JournalClub, Ovidiu Tirnovan delves deep into the methodologies for an accurate estimation of a fundamental property - #enthalpy of #formation #compchem www.grynova-ccc.org/journal-club...
In our pre-Easter #JournalClub, @chemwedding.bsky.social discussed #uncertainty and #truth in #LLMs #machinelearning www.grynova-ccc.org/journal-club...
April 17, 2025 at 12:57 PM
In our pre-Easter #JournalClub, @chemwedding.bsky.social discussed #uncertainty and #truth in #LLMs #machinelearning www.grynova-ccc.org/journal-club...
@clarakirkvold.bsky.social presents her exciting work on a compact topological representation for reticular materials at #AI4AM; paper is in prep.! #ML #COF #MOF
April 9, 2025 at 3:02 PM
@clarakirkvold.bsky.social presents her exciting work on a compact topological representation for reticular materials at #AI4AM; paper is in prep.! #ML #COF #MOF
Anatole von Lilienfeld asks the #AI4AM audience: what’s the difference between a physics conference and a fashion show? (Hint: gender ratio is not the right answer, although probably not wrong either)
April 8, 2025 at 4:24 PM
Anatole von Lilienfeld asks the #AI4AM audience: what’s the difference between a physics conference and a fashion show? (Hint: gender ratio is not the right answer, although probably not wrong either)
This week the #Journal_Club came early and by yours truly, discussing the best practices in modeling and understanding #nonAufbau electronic configurations #compchem www.grynova-ccc.org/journal-club...
March 26, 2025 at 4:55 PM
This week the #Journal_Club came early and by yours truly, discussing the best practices in modeling and understanding #nonAufbau electronic configurations #compchem www.grynova-ccc.org/journal-club...
Best practices #Journal_club from @mollart.bsky.social on the use (and abuse) of #continuum #solvent_models #compchem www.grynova-ccc.org/journal-club...
March 18, 2025 at 10:34 AM
Best practices #Journal_club from @mollart.bsky.social on the use (and abuse) of #continuum #solvent_models #compchem www.grynova-ccc.org/journal-club...
