Fabian Schwarz

Underlines the importance of publishing and "reusing" good large datasets.

02.10.2025 21:34 — 👍 2    🔁 0    💬 0    📌 0

Based on my experience, only fine-tuning foundational models and ignoring the computational cost of the foundational model (training + trading data + test data), one can save a lot of computational resources. Training from ground up & building training and test set is very "expensive", however.

02.10.2025 21:30 — 👍 0    🔁 0    💬 1    📌 0

Microsoft released their DFT functional with chemical accuracy. It (or some other model) might be used to generate training data instead of CC.

11.09.2025 19:58 — 👍 2    🔁 1    💬 0    📌 0

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...

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....

03.09.2025 20:28 — 👍 1    🔁 1    💬 0    📌 0

Materials Science: @underthemicroscope.bsky.social

15.06.2025 10:10 — 👍 2    🔁 0    💬 1    📌 0

In German: @realscientists.de , English account @realscientists.bsky.social seems inactive.

15.06.2025 10:08 — 👍 1    🔁 0    💬 1    📌 0

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

08.05.2025 07:53 — 👍 1    🔁 0    💬 0    📌 0

Pressure, precarity and paucity; the existence of the postdoc Preprints in Motion · Episode

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...

02.04.2025 17:44 — 👍 0    🔁 0    💬 1    📌 0

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.

ESC's mascot LUMO is something for #chemsky

So sieht das Maskottchen «Lumo» des ESC 2025 aus www.watson.ch/!233664186

26.02.2025 20:22 — 👍 0    🔁 0    💬 0    📌 0

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.

🚨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

21.02.2025 15:25 — 👍 3    🔁 3    💬 0    📌 0

Wenn es Forschungsideen sind, finde ich das ganz gut. Bin auch schon Jahre später auf Ideen von Kollegen oder vom Supervisor zurückgekommen. Natürlich muss man das dann auch so kommunizieren, dass man nicht erwartet, dass diese Idee jetzt sofort (oder überhaupt irgendwann) umgesetzt wird.

01.01.2025 16:00 — 👍 1    🔁 0    💬 1    📌 0

Image taken this afternoon in Uppsala. The river Fyris and a little snow in the foreground, Uppsala Cathedral and the moon in the background.

A winter afternoon in Uppsala.

07.12.2024 15:49 — 👍 0    🔁 0    💬 0    📌 0

Sunrise over the river Fyris in Uppsala with a nice red shine.

Sunrise over the river Fyris in Uppsala with a nice red shine

Sunrise in Uppsala.

02.12.2024 07:33 — 👍 0    🔁 0    💬 0    📌 0

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...

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....

22.11.2024 14:35 — 👍 6    🔁 1    💬 0    📌 0

Fin kväll i Uppsala. #AlltLjusPåUppsala

16.11.2024 16:45 — 👍 0    🔁 0    💬 0    📌 0