BENCh RTG 🧪💻

Benchmark experiments for numerical quantum chemistry @uniGoettingen @dfg_public. Official Twitter account. Legal notice:

[Christian Merten @MertenLab]

Thank you @Bench_unigoe for inviting me to the @GDCh_aktuell Kolloquium at @uniGoettingen! I had a great time and really enjoyed the discussions with @12162OCS, @AlcarazoLab, @KoszinowskiLab, @MatthiasOtteLab, M.Suhm, and all the other!

[Informationsdienst Wissenschaft - Nachrichten @idw_online_de]

Grundlage der zukünftigen Quantenchemie: Die @dfg_public fördert das Graduiertenkolleg @Bench_unigoe an der @uniGoettingen für weitere viereinhalb Jahre mit insgesamt rund 4,5 Millionen Euro. Das GRK verbindet experimentelle und theoretische Methoden. https://t.co/TdERlJon1F

[Uni Göttingen @uniGoettingen]

Grundlage der zukünftigen Quantenchemie: Die @dfg_public fördert unser Graduiertenkolleg @Bench_unigoe für weitere 4,5 Jahre. Der Schwerpunkt liegt auf der Entwicklung neuer Experimente, welche etablierte theoretische Modelle herausfordern. https://t.co/Anl0ulePEj

[BENCh RTG 🧪💻 @Bench_unigoe]

Wir wünschen ein frohes neues Jahr! Und dieser süße Hund tut das auch. #BENChRTG

[BENCh RTG 🧪💻 @Bench_unigoe]

We wish you a happy new year! And so does this cute dog. #BENChRTG

[BENCh RTG 🧪💻 @Bench_unigoe]

Unser GRK #BENChRTG wünscht euch allen frohe Weihnachten und erholsame Feiertage mit euren Familien und Freunden. 🎅🤶

[BENCh RTG 🧪💻 @Bench_unigoe]

The #BENChRTG wishes you all a merry Christmas and relaxing holidays with your families and friends. 🎅🤶

[Benjamin Schröder @QVibSchroeder]

What a nice way to close the year. We present a new high-dimensonal neural network potential for the formic acid dimer, validated by harmonic and anharmonic vibrational calculations. Nice cooperation between @uniGoettingen & @ELTE_UNI for @Bench_unigoe
https://t.co/83tK3OesUD

[BENCh RTG 🧪💻 @Bench_unigoe]

In den nächsten Tagen sind die BENCh-Promovierenden zusammen mit externen Gästen bei einem Workshop zu benchmark-baren Daten im Fritz-Haber-Haus in Berlin. Der Workshop wurde freundlicherweise von Taija, Finn und Lukas organisiert. #BENChRTG

[BENCh RTG 🧪💻 @Bench_unigoe]

For the next days, the BENCh students together with external guests are on a workshop on benchmarkable data in the Fritz Haber Haus in Berlin. The workshop was kindly organized by Taija, Finn and Lukas from our RTG. #BENChRTG

[Koszinowski Lab @KoszinowskiLab]

At the invitation of @Bench_unigoe, Roland Wester from the University of Innsbruck visited us in Göttingen last week. He studies ion-molecule reactions in a crossed-beam ion imaging setup. In his talk, Roland Wester spoke about SN2 reactions in the gas phase. We thank him!

[Inke Siewert @siewert_lab]

Thanks for hosting us @UniJena.
🥳 @Jyotima1996 won one poster prize at the 17. Koordinationschemie-Treffen. Happy to have you in the team 🤩! @Bench_unigoe

[Koszinowski Lab @KoszinowskiLab]

Konrad and Rene studied anionic dimers of fluorinated alcohols and determined their Gibbs energies of exchange reactions both experimentally and theoretically. @Bench_unigoe The paper is now published with page numbers in @J_ASMS 2022, 33, 1411-1418: https://t.co/tmqxJBDDaB

[BENCh RTG 🧪💻 @Bench_unigoe]

@JCF_Goettingen @ReneChem @KoszinowskiLab We see #benchmarking on the slides? That's our thing!

[JCF Göttingen @JCF_Goettingen]

Göttinger Chemie Forum has just started! Join us and @ReneChem from the @KoszinowskiLab in the Wöhler Lecture Hall! Lets go !!

[BENCh RTG 🧪💻 @Bench_unigoe]

Do you remember when you joined Twitter? I do! #MyTwitterAnniversary #BENChRTG

[BENCh RTG 🧪💻 @Bench_unigoe]

As of today, our new #BENChRTG blind challenge starts. The "FeMAN" challenge is about the microkinetic modeling of the gas-phase reactivity of organylferrate anions towards protonation. We compare computational predictions with experimental rate constants. https://t.co/MhH1ecTsIU

[Uni Göttingen @uniGoettingen]

Willkommen im Sommersemester! Ab sofort gilt wieder Stufe 0 und damit können alle Veranstaltungen (mit wenigen Ausnahmen) wieder in Präsenz stattfinden. Unser Vizepräsident für Studium und Lehre, Christian Ammer, sendet ein Grußwort an alle Studierenden: https://t.co/f0zTEZY4Ez

[BENCh RTG 🧪💻 @Bench_unigoe]

After the coffee ☕️ break, the last session starts. It is hosted by @notherChemist. We begin with Martin Suhm who presents the experimental benchmark results of the HyDRA challenge.
https://t.co/BTuhv20pgz
#IBDM #BENChRTG

[BENCh RTG 🧪💻 @Bench_unigoe]

We’re both happy and sad at the same time, as today is the last day of the #IBDM in Göttingen. Looking forward to all the talks! 🚀 #BENChRTG

[BENCh RTG 🧪💻 @Bench_unigoe]

The first session today is about standards and concepts and chaired by Martin Suhm. Tucker Carrington starts about the use of contracted basis functions and the Lanczos algorithm to compute spectra of flexible Van der Waals dimers.