STChem

57th Symposium on Theoretical Chemistry - Sep. 20-24th - virtually in Würzburg. All the important infos and highlights. Tweets: @SaraWirsing @felipefantuzzi

[STChem @STChem2021]

@AGTheoChem Thank you, for letting us use the bandwith of the agtc for a bit. The account is yours again. 👋

[STChem @STChem2021]

We conclude this stc with some tasty food.😊 It was great to see you all discussing the talks and on gathertown. Have a nice weekend and hopefully see you next year in Heidelberg.

[STChem @STChem2021]

We hope you enjoy the last scientific talk of this conference by this years' Hellman-Preis winner Martin Brehm. Stay tuned for the poster prizes!

[STChem @STChem2021]

Today it's award time!🥳 We start with the Peyerimhoff prize:
@JWestermayr "Machine learning for excited states MD simulations"
and
Johannes Dietschreit "Advanced techniques for the Computer Simulation and Analysis of Biomolecular Systems." Tune in!

[STChem @STChem2021]

Now on to the Hellman-Preis of 2020 awarded to Jeremy Richardson "Bending the rules of classical mechanics to simulate quantum dynamics".

[STChem @STChem2021]

Robert Berger "Get the point right: Nuclear structure and fundamental physics with molecules".
So channel your attention once again and enjoy lunch afterwards!

[STChem @STChem2021]

Good morning! Welcome to the talk by @notherChemist on Regulation and signaling in proteins: challenges to multi-scale modelling, followed by Patrick Zobel talking about Efficient Simulation of Excited-State Dynamics of TM Complexes in Full Dimensionality on ps Time Scales and

[STChem @STChem2021]

Now to the second and already last session of today! Enjoy the talks by @HughGABurton "Electronic Structure as an Energy Landscape: An Orbital-Free Perspective", Stella Stopkowicz "Electron correlation with magnetic fields – a voyage from astrophysics to larger systems" and

[ChemistryViews @ChemistryViews]

Erich Hückel Prize for Gernot Frenking: Theoretical chemist honored for outstanding contributions to solving chemical problems using modern quantum-chemical methods https://t.co/2yw1Um6BPv

[The González Group @theo_chem]

Today was my last @AGTheoChem meeting as a chair during the @STChem2021. A pleasure to have served for 4 years. As a Spaniard in Austria, being the Head of the German Theoretical Chemistry is quite an achievement. Thanks to all of you 🙏 for the trust! Long life to the new Head!

[STChem @STChem2021]

It's award time!🥳 Don't miss the ceremony and Prof. Gernot Frenking's talk on Chemical Bonding and the Atomic Valence Space.

[STChem @STChem2021]

Jiří Pittner with an invited talk on DMRG-tailored CC method: towards transition and heavy metal compounds.

[STChem @STChem2021]

Good morning everyone and welcome to day 3/5!

[STChem @STChem2021]

We're resuming with Evgenii Titov on the photochemistry and photophysics of azobenzene in an aggregated state, Alberto Baiardi talking about "Pushing the limits of the Density Matrix Renormalization Group: from vibrational spectroscopy to quantum dynamics" and

[STChem @STChem2021]

Enjoy your evening, and hope to see you tomorrow at 9 am. 😊

[STChem @STChem2021]

Before we start into part 2 of the poster discussion, there's two more exciting talks! Currently @BMennucci on light harvesting and quenching in plants with QC and MD, and next on @jtmargraf with a talk titled "Integrating Electronic Structure Theory and Machine Learning".

[STChem @STChem2021]

@ProfvLilienfeld @ferchault Thanks for adding the link! My bad.

[Anatole von Lilienfeld @ProfvLilienfeld]

@ferchault APDFT rulez!