Fabian Schwarz
fabianmrblack.bsky.social
Fabian Schwarz
@fabianmrblack.bsky.social
Computational Chemistry & Materials Science | Postdoc Uppsala University 🇸🇪 | Former PhD Student @LNM ETHZ 🇨🇭 | Sverige | 🗣️: 🇨🇭🇩🇪🇬🇧🇸🇪
Reposted by Fabian Schwarz
We've got ISSUES. Literally.

We scraped >100k special issues & over 1 million articles to bring you a PISS-poor paper. We quantify just how many excess papers are published by guest editors abusing special issues to boost their CVs. How bad is it & what can we do?

arxiv.org/abs/2601.07563

A 🧵 1/n
January 13, 2026 at 8:27 AM
Reposted by Fabian Schwarz
Lattice Oxygen Exchange Pathways in Nickel–Iron Metal–Organic Framework-Based Oxygen Evolution Electrocatalysts http://dx.doi.org/10.1021/acsami.5c12947
December 29, 2025 at 2:14 PM
A big effort to better understand lattice oxygen exchange and oxygen evolution reaction in Ni-Fe MHOFs. Vibrational mode calculations supplement the experimental Raman Spectra, helping to eluciadte the proposed reaction mechanism. #chemsky #compchemsky pubs.acs.org/doi/10.1021/...
Lattice Oxygen Exchange Pathways in Nickel–Iron Metal–Organic Framework-Based Oxygen Evolution Electrocatalysts
The oxygen evolution reaction (OER) is crucial for electrofuel production. Metal–hydroxide organic frameworks (MHOFs), a subset of metal–organic frameworks with oxyhydroxide-like layers interconnected...
pubs.acs.org
December 29, 2025 at 2:53 PM
Tim developed a python package which includes a variety of tools for coarse-grained polymer simulations. It includes network generation, fast implementations for determining shear moduli and normal mode analysis as well as analysis of (MD) simulation output. #compchemsky
doi.org/10.5334/jors...
pylimer-tools: A Python Package for Generating and Analyzing Bead-Spring Polymer Networks | Journal of Open Research Software
doi.org
December 18, 2025 at 12:51 PM
To elucidate where the water and sodium are located, Ida did some inelastic neutron scattering, comparing it with simulated spectra.

#chemsky

Vibrational Water Dynamics in Sodium-Based Prussian Blue Analogues | The Journal of Physical Chemistry C pubs.acs.org/doi/10.1021/...
Vibrational Water Dynamics in Sodium-Based Prussian Blue Analogues
The Prussian blue analogues (PBAs) Na2-xFe[Fe(CN)6]·z H2O (x,z = 0–2) exhibit many phase transitions as a function of the sodium and water content, which involves large volume changes that can negativ...
pubs.acs.org
November 29, 2025 at 11:10 PM
Hannes' manuscript about our methodology to study ion diffusion in crystalline solids has just been published. The interaction of the ions with the framework can in principle be calculated at any level of theory. #compchem #compchemsky doi.org/10.1021/acs....
Computationally Efficient DFT-Based Sampling of Ion Diffusion in Crystalline Solids
We present a method for large-scale DFT-based screening of ion diffusion in crystalline solids. This is accomplished by extending the Ionic TuTraSt method to sample the potential energy surface by usi...
doi.org
September 3, 2025 at 8:29 PM
Great work from Nensi and all other co-authors mapping out a wide range of stoichiometries and combining insights from experiment with those from MD simulations! #chemsky #matsky #compchem
May 8, 2025 at 7:53 AM
While the title is "...; the existence of the postdoc", @jacoates.bsky.social discusses many of academia's problems. The least we can do is bring it up again and again.
open.spotify.com/episode/1iv8...
Pressure, precarity and paucity; the existence of the postdoc
Preprints in Motion · Episode
open.spotify.com
April 2, 2025 at 5:44 PM
ESC's mascot LUMO is something for #chemsky

So sieht das Maskottchen «Lumo» des ESC 2025 aus www.watson.ch/!233664186
So sieht das Maskottchen «Lumo» des ESC 2025 aus
Das Maskottchen des Eurovision Song Contest (ESC) 2025 in Basel heisst «Lumo» und ist ein Herzchen auf zwei Beinen mit feurig-rotem Haarbusch.
www.watson.ch
February 26, 2025 at 8:22 PM
Reposted by Fabian Schwarz
🚨Check out our latest publication in @NanoLetters!

@Jelena_Wohlwend and @Oliverwipf present Cu-Pd disordered network #metamaterials as a scalable platform for plasmonic catalysis.

👉 doi.org/10.1021/acs....

@ethzurich.bsky.social @cenmag.bsky.social
CO2 Conversion in Cu–Pd Based Disordered Network Metamaterials with Ultrasmall Mode Volumes
Plasmons can drive chemical reactions by directly exciting intramolecular transitions. However, strong coupling of plasmons to single molecules remains a challenge as ultrasmall mode volumes are required. In the presented work, we propose Cu–Pd plasmonic network metamaterials as scalable platforms for plasmon-assisted catalysis. Due to the absence of translational symmetry, these networks provide a unique plasmonic environment featuring a large local density of optical states and an unparalleled density of hotspots that effectively localizes light in mode volumes V < 8 × 10–24 m3. Catalytic performance tests during CO2 conversion reveal production rates of up to 4.3 × 102 mmol g–1 h–1 and altered reaction selectivity under light illumination. Importantly, we show that the selectivity of the catalytic process can be tuned by modifying the network’s chemical composition, offering a versatile approach to optimize reaction pathways.
doi.org
February 21, 2025 at 3:25 PM
A winter afternoon in Uppsala.
December 7, 2024 at 3:49 PM
Sunrise in Uppsala.
December 2, 2024 at 7:33 AM
Our perspective on how the potential energy surface can aid in the understanding of diffusion in solid-state materials has just been published in Chemistry of Materials. #chemsky #compchemsky doi.org/10.1021/acs....
Understanding Mobile Particles in Solid-State Materials: From the Perspective of Potential Energy Surfaces
The structure and dynamics of a material are essentially determined by the complex combination of potential energy landscapes experienced by the individual atoms in the system. In turn, valuable infor...
doi.org
November 22, 2024 at 2:35 PM
Fin kväll i Uppsala. #AlltLjusPåUppsala
November 16, 2024 at 4:45 PM