Interested in best practices for creating and maintaining reproducible workflows for biomolecular simulations?

Join us for our #webinar

🗓️ 17 February 2026, 15:00 CET
✍️ bioexcel.eu/7c2s

#molecularsimulations #workflows #FAIR #SoftwareEngineering

@coderefinery.org

Our webinar series will restart in September 2025 following a break during the summer months ☀️⛱️

📽️ You can access the recordings of all our previous webinars via our YouTube channel ▶️ bit.ly/3H8FZW7

#molecularmodeling #molecularsimulations #research #compchem

If you are an early-stage career scientist 🧑‍🔬 using biomolecular simulations the BioExcel Summer School is for you!

Running since 2018 it always receives outstanding reviews

Apply here ➡️ bioexcel.eu/4ooy

Deadline for applications: 1st February!

#training #molecularsimulations #community

🥁 We have opened the registration for our Summer School on Biomolecular Simulations 2026!

Our flagship training event will take place 7-12 June 2026 in Sardinia, Italy 🌞⛱️

More information and how to apply ➡️bioexcel.eu/4ooy

#training #molecularsimulations #community

[DISCUSSION] Could protein vibrations encode cellular information like molecular Morse code? What implications does this have for drug design? #ProteinDynamics #MolecularSimulations #Biophysics #ProteinDynamics #MolecularSimulations #Biophysics

"From quick script to reproducible workflow"

Learn to create and maintain reproducible workflows for biomolecular simulations

🗓️ 17 February 2026, 15:00 CET
✍️ bioexcel.eu/7c2s

#webinar #molecularsimulations #workflows #FAIR #SoftwareEngineering

@coderefinery.org

🎄In just one week, Prof Ben Corry @corrylab.bsky.social will give a seminar on #sodiumchannel inactivation and inhibition when using #molecularsimulations 💻🧪

Join us on the 17th of December:
sodiumchannelseminars.org/Program-2024...

⏱️Don't delay❗️

🗓️1st February is the deadline for applications to our Summer School 2026

Note the requisites, e.g. support letter, before you can submit your application ➡️ bioexcel.eu/4ooy

#training #molecularsimulations #molecularmodeling #compchem #community

⏰ Don't forget to register for our #webinar tomorrow, 17 February 2026, 15:00 CET
✍️ bioexcel.eu/7c2s

"From quick script to reproducible workflow"

#molecularsimulations #workflows #FAIR #SoftwareEngineering

@coderefinery.org

Review the 📹 video recordings of the excellent past @bioexcelcoe.bsky.social webinars and see you in autumn 🍂 again! #molecularmodelling #molecularsimulations #research #compchem

Accelerating Molecular Simulations with Triton: Fused GPU Kernels for TensorNet Neural Potentials

#Triton #CUDA #MolecularDynamics #MD #MolecularSimulations #PyTorch #Chemistry #Biology

hgpu.org?p=30453

🚀 Are you working on Integrating biophysics, simulations, and AI?

Edited by our Field Chief @davidalsteens.bsky.social, this topic pushes the boundaries of science! 🔬🤖

Register to submit your research here: tinyurl.com/FCEBio

#Biophysics #AI #MolecularSimulations

Pennsylvania State University is hiring:
Postdoctoral Scholar - Chemistry

#postdoc #chemsky #molecularsimulations

#research #molecularsimulations
Diffusion Analyses along Mean and Gaussian-Curved Membranes with CurD (Fábián, JavanainenM) - JPhysChem
Letters: pubs.acs.org/doi/10.1021/...
@iocbprague.bsky.social

"Curious about optimizing molecular simulations despite quantum noise hurdles? BFGS algorithm shines with unmatched accuracy and efficiency, potentially revolutionizing the field. How do you see the future of optimization? #QuantumComputing #MolecularSimulations #Innovation" LINK