Official student-run twitter for the Sandra Luber research group. Theoretical and Computational Chemistry. Department of Chemistry, University of Zurich.
Zurich, Switzerland
Joined April 2021
- Tweets186
- Following126
- Followers449
- Likes41
Congratulations! The review paper "Machine Learning Interatomic Potentials for Heterogeneous Catalysis" by Deqi, Rangsiman, and Sandra has ranked within the top 10% of most-viewed papers published by @ChemEurJ in 2024
doi.org/10.1002/chem.2024011…
Anna and Sandra just published a paper on "Compact Vibrational Wave Functions via Linear Optimization" at International Journal of Quantum Chemistry @WileyCTChem @UZH_en @UZH_chemistry
check it out:
onlinelibrary.wiley.com/doi/…
Deqi, Fabrizio and Sandra have published a paper in @InorgChem about "Secondary Coordination Sphere Effects in Macrocycle-Embedded Mononuclear Ru(bda) Water Oxidation Catalysts" @UZH_en
Check it out:
pubs.acs.org/doi/full/10.102…
Momir and Sandra published a paper in @jctc_papers about "Origin of the Singlet Excited Electronic Energy Shifts in ΔSCF with Fractional Occupation Numbers and Hybrid Density Functional" @snsf_ch @UZH_en
Check it out:
pubs.acs.org/doi/10.1021/acs…
Momir has received the Spark funding grant from the Swiss National Science Foundation @snsf_ch
Ziwei and Sandra published a paper in @jctc_papers about "Anisotropic Interface Continuum Solvation Model and the Finite-Element Anisotropic Poisson Solver" @snsf_ch @UZH_en
check it here
pubs.acs.org/doi/10.1021/acs…
Luis and Sandra published a paper in @JPhysChem A about "Spin-Flip TDDFT within the Sternheimer Formulation: A Gaussian
and Plane Wave Implementation"
@UZH_en
Check it here:
pubs.acs.org/doi/10.1021/acs…
Fabrizio, Deqi, and Sandra published a paper with Pokrant group in @ChemElectroChem about the "Hydrothermally Synthesized BiVO4: The Role of KCl as Additive for Improved Photoelectrochemical and Photocatalytic Oxygen Evolution Activity" @snsf_ch @UZH_en
Check it here:
Luber Group retweeted
Big congratulations to Sandra Luber (@UZH_en ) 🎉 She’s been awarded the @EuChemS Walter Thiel Award for her outstanding work in computational chemistry
chemistryviews.org/euchems-w…
Congratulations to @FabrizioCreazzo for receiving the Holcim-Stiftung Grant by Holcim Stiftung zur Förderung der wissenschaftlichen Fortbildung.
@LuberGroup@UZH_Chemistry
Excited to share that our review "Exploring Excited-State Electronic Structure, Spectroscopy, and Nonadiabatic Dynamics with CP2K’s Multifaceted Approach" made the cover in @JPhysChem A
Many thanks to the team and @ACSPublications
#MyACSCover
check it: doi.org/10.1021/acs.jpca.5c0…
Andrey, Momir, and Sandra published a paper in @jctc_papers about the "Bridging the Gap between Variational and Perturbational DFT-Based Methods for Calculating Excited States" @snsf_ch @UZH_en
Check it here:
pubs.acs.org/doi/full/10.102…
@FabrizioCreazzo published a paper in @ACS_AMI about the "Engineering of MoSe2 and WSe2 Monolayers and Heterostructures by DFT-Molecular Dynamics Simulations" @snsf_ch Spark grant @NCCR_Catalysis @UZH_en
check it here: pubs.acs.org/doi/10.1021/acs…
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.2025.1…
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/…
Fabrizio Creazzo @FabrizioCreazzo and Sandra Luber @UZH_chemistry
published a paper about DFT-Metadynamics Insights on the Origin of the Oxygen Evolution Kinetics at the (100)-WSe2 Surface on iScience @iScience_CP.
@NCCR_Catalysis @UZH_ch
check it here:
cell.com/iscience/fulltext/S…
