Bianca Pasca

Machine-learning-driven modelling of amorphous and polycrystalline BaZrS$_{3}$ The chalcogenide perovskite material BaZrS$_{3}$ is of growing interest for emerging thin-film photovoltaics. Here we show how machine-learning-driven modelling can be used to describe the material's ...

BaZrS3 is an emerging solar-cell material ☀️ In a preprint led by @biancapasca.bsky.social, we describe an ML potential that can tackle the structural complexity of amorphous and polycrystalline BaZrS3. Very happy to see this online! Read more at arxiv.org/abs/2506.01517

11.06.2025 07:06 — 👍 9    🔁 3    💬 1    📌 0

I am excited to announce my first pre-print, studying the amorphous and polycrystalline phases of BaZrS3 with the aid of machine-learned interatomic potentials! Hopefully this will also lead the way to more exciting stuff to come on other, more complex perovskite systems :) arxiv.org/pdf/2506.01517

04.06.2025 19:50 — 👍 0    🔁 0    💬 0    📌 0

A photo of Volker, Litong, Shixuan, Natascia, and Bianca outside a building at KIT where the workshop was held

It was great to take part in the @cecamevents.bsky.social Flagship Workshop on “Virtual Materials Design” at @kit.edu this week – and to see Litong, Shixuan, Natascia, & @biancapasca.bsky.social present their #compchem research! 😀

04.06.2025 14:09 — 👍 10    🔁 1    💬 0    📌 0

The AI4AM2025 conference was a joy to attend, with many interesting talks (and great food!). The surprise of winning a poster prize caught me with a wine glass during the cocktail lunch 😄 Thanks to the organizers and participants for the insightful chats and @vlderinger.bsky.social for the guidance!

14.04.2025 14:52 — 👍 4    🔁 0    💬 0    📌 0

A photo of John, Natascia, Bianca, Litong, and Volker in a seminar room

In Cambridge today for a workshop on ML interatomic potentials! Photo with @jla-gardner.bsky.social, Natascia, @biancapasca.bsky.social, & Litong 🙂 #compchem

20.01.2025 12:57 — 👍 16    🔁 3    💬 1    📌 0

TB to September 2024: It’s been great to present a poster for the first time at the Faraday Discussion on Data-driven discovery in the chemical sciences! Heard such great ideas and comments and am excited for what’s to come #FD_Data

09.01.2025 08:35 — 👍 10    🔁 1    💬 0    📌 0