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Congratulation to Sandra Luber Group UZH Chemistry and her co-authors Edward Ditler, Tomáš Zimmermann and Chandan Kumar on winning the Philip J. Stephens Award 2023-2024 for the paper: Implementation of Nuclear Velocity Perturbation and Magnetic Field Perturbation Theory in

Lukas Schreder Lukas Schreder and Sandra Luber Luber Group @UZH_chemistry present an implementation of the FDE freeze-and-thaw algorithm in the massively parallel quantum chemistry software CP2K which previously lacked this ability. It is the Editor's pick: pubs.aip.org/aip/jcp/articl…

Lukas has successfully defended his PhD. Congratulations!🚀🎆

Congratulation to Ziwei Chai Luber Group UZH Chemistry on winning a SNSF Spark grant. 👏👏👏

Congratulation to Sandra Luber Group UZH Chemistry for receiving the 2024 Early Career Award in Theoretical Chemistry awarded by ACS American Chemical Society 👏👏👏

Kota and Sandra published a paper on "Development of Real-Time TDDFT Program with k-Point Sampling and DFT + U in a Gaussian and Plane Waves Framework" in JCTC Papers. #compchem #uzh_chemistry #cp2k UZH Chemistry CP2K Check it out: pubs.acs.org/doi/10.1021/ac…

Ravi & Sandra published a paper in HelvChimActa on "Electric Dipole Polarizability Calculation for Periodic and Non-Periodic Systems using Atomic-Orbitals-based Linear Response Theory." UZH Chemistry check it here: onlinelibrary.wiley.com/doi/10.1002/hl…

Ziwei & Sandra published a paper on Comp. Phys. Comm. about "Functional analytic derivation and CP2K implementation of the SCCS model based on the solvent-aware interface." UZH Chemistry Check it here: doi.org/10.1016/j.cpc.…