Very excited that the Electronic Structure Library workshop next week is happening in Zaragoza:
esl.cecam.org/en/events/es...
Shared libraries and tools are a critical piece of the Electronic Structure ecosystem ( #compchemsky ). It's great to see this area push forward.
An exciting PhD studentship available between the U. of Manchester (Sam Lay) and Diamond Light Source -an opportunity to work with experimental time-resolved structural biology and state-of-the-art computational simulations to gain a deep understandingf enzymes.
www.findaphd.com/phds/project...
A reminder of our introductory QM/MM training course on 4th June. If you'd like to attend please register by Thursday 21st May.
We're pleased to announce the release of Py-ChemShell 2025 🍾
Highlights in v25.0 include microiterative QM/MM optimisation for large systems, new cluster cutting workflows, new and improved interfaces to Psi4, ORCA, Gaussian and PySCF, and improved HPC performance. #chemsky #compchemsky