STChem

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

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.

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!

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

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!

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

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

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

Erich Hückel Prize for Gernot Frenking: Theoretical chemist honored for outstanding contributions to solving chemical problems using modern quantum-chemical methods bit.ly/3EFyBMd

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!

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

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

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

Good morning everyone and welcome to day 3/5!

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

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".

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

@ferchault APDFT rulez!