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A new paper with a record breaking (*)number of co-authors is now available online. Read about new features of OpenMolcas - a leading program for electronic structure calculations.

2023-05-26

We are proud to announce the publication of a new review article that showcases the latest features of OpenMolcas, an advanced computational chemistry software developed by researchers in the division of computational chemistry and a large web of collaborators across the world. This new publication highlights the expanded capabilities and improved performance of OpenMolcas, empowering researchers to address complex molecular systems and explore complex chemical phenomena with enhanced accuracy and efficiency. By employing advanced algorithms and state-of-the-art methodologies, OpenMolcas provides a valuable tool for investigating chemical reactivity, spectroscopy, and materials science. The article underscores the potential of OpenMolcas to advance the field of computational chemistry and foster transformative discoveries across diverse scientific disciplines.

Link: https://pubs.acs.org/doi/10.1021/acs.jctc.3c00182 

(*)Local record number

The announcement has been written with a kind help of ChatGPT