Paper News: Subsystem-Based GW/Bethe−Salpeter Equation. A great collaboration within the Center For Multiscale Theory and Computation (CMTC) @WWU_Muenster. #compchem pubs.acs.org/doi/10.1021/ac…

In this piece, we point out the wide spectrum of free and open source software for computational chemistry and how it can meet the needs of chemical education. chemrxiv.org/engage/chemrxi…

Serenity v1.4.0 has just been released. Thanks for all the hard work by everyone involved. New features include: - Utilization of cholesky decomposition - Calculations w. ext. electric fields - Response calculations (CC2, ADC(2), ...) - ... github.com/qcserenity/ser…

[ASAP] Solvation Free Energies in Subsystem Density Functional Theory ift.tt/3FYRFW4

Johannes and Johannes giving a perspective on TDDFT in sub- and supersystems. Many of the discussed methods can be found in Serenity. #compchem doi.org/10.1021/acs.jp…

Want to learn more about subsystem time-dependent density-functional theory? An overview is given in this recent Perspective. Serenity Universität Münster go.acs.org/pz

Origin-independent ECD in the length-gauge representation without London atomic orbitals? Well yes, we have something new for you! doi.org/10.1063/5.0088… Well done Niklas, and thanks to Marco Caricato #compchem

[ASAP] Automated Generation of Optimized Auxiliary Basis Sets for Long-Range-Corrected TDDFT Using the Cholesky Decomposition ift.tt/F3fDHAT

Serenity is one of the available DFT interfaces in the back end: github.com/qcscine/puffin Happy to see the support!

Paper News: Specialized DLPNO-CC orbital pair selection for reaction energies, based on pair correlation energy changes. Well done Moritz! scitationinfo.org/1XPS-7ZB1S-C9R… #compchem

Paper News: A subsystem-based toolbox for spin density-based properties. A perspective on open questions and possible developments toward challenging future applications. Well done, Patrick! #compchem aip.scitation.org/doi/full/10.10…

Paper News: Reliable isotropic EPR hyperfine couplings from subsystem methods. Here Patrick (@p_esch01) and Denis study the opposing effects of overdelocalization and overlocalization in detail. pubs.acs.org/doi/10.1021/ac… #CompChem

An extended subsystem-based method to reliably calculate isotropic EPR hyperfine couplings. A detailed study of opposing overdelocalization and overlocalization effects with ossible applications towards large (bio)molecular systems. Serenity @p_esch01 go.acs.org/2Uz

We have collected all the new features and written an overview of what is possible with Serenity. Thanks to everyone involved. #compchem doi.org/10.1002/wcms.1…

First paper from the group is out in PCCP, part of BENCh RTG 🧪💻 themed collection... Great work by Zohreh together with Lukas, Moritz and Johannes Serenity... pubs.rsc.org/en/content/art… #compchem

[JCTC] [ASAP] Correction to “Subsystem-Based GW/Bethe–Salpeter Equation” dlvr.it/SnBjSz

[2307.04508] Laplace-Transform GW #compchem arxiv.org/abs/2307.04508

Congratulations and well done everyone. Happy to see this published, and even happier, Serenity could contribute.

Recently Serenity was featured the ten year update of a subsystem DFT focussed review by Johannes and Christoph (Christoph Jacob). Time flies when you are developing sDFT! 😄 doi.org/10.1002/wcms.1…