New preprint out! We extended our TD-DMRG framework to electronic problems and apply it to electron dynamics simulations. Check it out! arxiv.org/abs/2010.02049

Happy to share our new preprint on Tailored Coupled Cluster in different Correlation Regimes. arxiv.org/abs/2010.04841 #compchem #MarkusReiher

[ASAP] Electron Dynamics with the Time-Dependent Density Matrix Renormalization Group ift.tt/3ftoGPC

My poster from yesterday’s session at STChem Thanks for the great discussions to everyone who stopped by ! 😊

"Man ist es nicht gewohnt auf Probleme zu reagieren, die viele Jahre dauern...daher bin ich dankbar, dass jetzt die Jugend überall auf das Problem aufmerksam macht". #Physik-Nobelpreisträger Klaus Hasselmann @MPI_Meteo über das Engagement #FridaysforFuture gegen den #Klimawandel

I’m very happy to share my first first-author paper about the nuclear-electronic DMRG... among other things, we showed that nuclear and electronic wave functions aren’t even that different! dlvr.it/SGT9LF

[JCTC] [ASAP] Explicitly Correlated Electronic Structure Calculations with Transcorrelated Matrix Product Operators dlvr.it/SSBqP2

Automated CAS selection for DMRG? Open-source and free? Yes please! AutoCAS v2.0.0 has had its Python release a few days ago. Well done Max Mörchen. Find it on PyPI and at github.com/qcscine/autocas #compchem cc: @QCstein

Our latest work on multireference coupled cluster methods has been published in JCTC! We’re excited to have come very close to achieving our goal of developing a method that matches the cost and accuracy of CCSD(T). pubs.acs.org/doi/10.1021/ac…