Will be speaking at this tomorrow - looking forward!
04.11.2025 15:51 — 👍 0 🔁 0 💬 0 📌 0
📢 New FHI-aims release 250822 📢
Lots of new things including: QM-in-QM embedding with EmbASI, superconductivity, implicit solvation with Environ, Q4C up to 1500 atoms, faster range separated hybrids, and a whole lot more.
A huge thank you to everyone who contributed!
25.08.2025 11:06 — 👍 2 🔁 2 💬 1 📌 1
📣 We are happy to announce the next FHI-aims webinar in September. Find out about explainable AI models for materials science using the SISSO approach with Thomas Purcell and Lucas Foppa!
For more details/registration, click here: indico.ms1p.org/e/webinar_si...
04.08.2025 11:00 — 👍 2 🔁 1 💬 0 📌 0
Happy to have contributed a little to this in the past year - what a fantastic effort from everyone involved!
05.05.2025 08:23 — 👍 0 🔁 0 💬 0 📌 0
New FHI-aims release with lots of new stuff from lots of contributors, nice!
Some things from me include a refactor of the spin texture code, allowing use of ScaLAPACK to study really big systems with it, some improvements to D3 dispersion correction usage, and a whole host of bugs fixed 🪲
21.03.2025 10:54 — 👍 0 🔁 0 💬 0 📌 0
📢 We are happy to announce our next FHI-aims webinar. Find out how to model heterogenous catalysis with FHI-aims and Ray Miyazaki!
For more details/registration, click here: indico.ms1p.org/e/webinar_ca...
07.03.2025 09:39 — 👍 6 🔁 3 💬 0 📌 0
FACCTs is bringing the ORCA quantum chemistry software to industry - promoting the next Quantum leaps in the Pharma, Materials and Chemical Industries.
Visit us at www.faccts.de
Scientific Consultancy - Catalysis, Energy, Pharma, Automotive
Associate professor of theoretical chemistry at University of Modena and Reggio Emilia. Interested in molecular simulations, catalysis, reactivity.
Lecturer in Chemistry at Imperial College London | Uses computers to simulate electrons
A physicist from a tropical island 🌴 🇱🇰🇺🇸
THz Spectroscopy and Molecular Crystals
Associate Professor @chemleedsuni
Twitter Refugee
Chemistry professor at CMU. Connecting chemical sciences with AI #MachineLearning and automated experimentation. #tarheels fan. Care: #design, #photography #Ukraine #cats🐈 Rants are mine
Professor, Materials Theory Group, Department of Materials Science & Engineering, Yonsei University
🇸🇬 🇳🇿 🇦🇺 🇩🇪 🇰🇷 #USYDAlumni #ISTJ
🌏 https://www.materials-theory.group
Computational chemistry & physics, electrons, deep learning 🚲☕️♟️ Microsoft Research AI for Science · https://jan.hermann.name
To physicists: a chemist. To chemists: a physicist. To mathematicians: an empty set.
RSURF & Lecturer, Imperial College London.
Computational chemist / physicist.
Photovoltaics, batteries, antibacterial peptides; lasers, cryostats, (ML)(Q)MC/MD/TB/DFT.
Research group led by Mariana Rossi (@mahrossi.bsky.social), hosted at the MPI for Structure and Dynamics of Matter in Hamburg
Theoretische Physik & Schalke
(Electrified) Aqueous interfaces | Vibrational Spectroscopy | Rate Theories | Quantum dynamics
Group Leader of the STREAM group at @MPIP-mainz.mpg.de
RSE at CSCS (Swiss National Supercomputing Center) | MDAnalysis Core Developer | JOSS Editor | Interested in #HPC, Computational Chemistry, and Materials Science
Ab initio materials simulations at Duke University. Associate professor, Duke MEMS & Chemistry. https://aims.pratt.duke.edu/ . Opinions my own. Unlike the shirt on the right side of the profile image, which is not my own. The number on the shirt is 10.
Engineer pretending to be a Computational Chemist working on how light and stuff interact at University College London - husband of @jelfschem.bsky.social - all views are my own 🇳🇱🇪🇺🇬🇧
Brazilian, mother, scientist. Living in Hamburg. Surviving in science ;-)
