MOPAC version 23.1.0 released!
This is the first open-source MOPAC release under an Apache license. The switch from an LGPL license is to encourage and facilitate more contributions from industry. This release also adds a version command to the recent API that will be used by MOPAC's upcoming Python wrapper library, mopactools.

Less visible are various bug fixes and portability enhancements. The standalone distribution is still not built with MDI support enabled, but the conda-forge distribution of this MOPAC version will have MDI support enabled and depend on the MDI library available through conda-forge. Several build options have been added (USE_C_MALLOC, FORCE_EXPORT_SYMBOLS) that allow MOPAC to be built using recent versions of the LLVM Flang compiler, which will hopefully enable MOPAC to complete its migration to LLVM Flang on conda-forge.

https://github.com/openmopac/mopac/releases/tag/v23.1.0

Come work with us! Open #postdoc position in theoretical chemistry. Seeking candidates broadly interested in excited-state dynamics of complex systems. See attachment or link for more details.

Apply here: apply.interfolio.com/163875

Relativistic Effects in Chemistry: More Common Than You Thought

The Mathematics of Quantum Mechanics

The Virtual Winter School on Computational Chemistry has prepared a short online survey to better tailor next year’s event to your interests in speakers and workshops.

Please take about two minutes to complete the survey:
https://forms.gle/SrDBWatvoECrBEaM8

https://ramimanaf.github.io/JMolecularEnergy/#about

A Java library that support various operations in force fields
—
JME is designed to help researchers and scientists explore and understand the behavior of molecules at the atomic level. You can analyze the interactions between atoms and molecules and optimize molecular structures.

Do you know that we have an online version for OpenBabel?

OpenBabel allows to convert nearly all the chemical formats and it very practical to quickly move from one program to another.

Give it a try!

https://www.cheminfo.org/Chemistry/Cheminformatics/FormatConverter/index.html

📢 PhD Position Available 📢

We are looking for a candidate for a PhD position on:

🔹 Ab initio Simulation of the Optical Properties of Metal Clusters in Solid Matrices
🔹 Focus: TDDFT calculations
🔹 Location: Marseille, France
🔹 Part of the ANR project "GNOME"

📄 Project details:
👉 https://amubox.univ-amu.fr/s/g8cE2jASEqWXiJ8

📩 Interested candidates should contact H.-Ch. Weissker by March 20, 2025.
📌 Check the project denoscription for details.

🔬 Don't miss this opportunity!

Best regards,
Hans-Christian Weissker