Py-ChemShell 2023 released

Py-ChemShell 2023 released

We are delighted to announce the release of Py-ChemShell 2023 (v23.0), the latest release of the Python-based version of ChemShell. Highlights of the 2023 release include a general purpose multi-layer subtractive embedding scheme, integration with the Basis Set...
ChemShell featured on PCCP cover

ChemShell featured on PCCP cover

Our recent Perspective article on QM/MM modelling of catalytic systems using ChemShell has been featured on the front cover of the 7th September issue of the Royal Society of Chemistry’s journal PCCP!   Citation: Y. Lu, K. Sen, C. Yong, D. S. D. Gunn, J. A....

ChemShell developer vacancy at STFC [closed]

We currently have a vacancy in the Multiscale Materials and Molecular Science group at Daresbury Laboratory for an experienced computational scientist to join the team developing ChemShell. As part of STFC’s CoSeC programme, you will work closely with the Materials...