PSDI launched a new webinar series entitled “From Project to Platform: New Resources on PSDI”. This series aims to showcase the high-quality tools and resources developed through the funding call 2025, introduce them to a broader community, and foster engagement with relevant user groups.
On 21st May 2026, PSDI hosted the second session of the new webinar series titled “High-Quality Scientific Data Resources” – “When TD-DFT Fails: BenchmarkSet1500, a Multireference Excited-State Dataset for Organic Semiconductor Discovery”
For those who missed the live session or wish to revisit the discussion, the full webinar is available on our YouTube channel.
The slides are available on zenodo: https://zenodo.org/records/20539210
Stay tuned for future PSDI webinars by subscribing to our PSDI YouTube Channel.
Abstract: Malin Zollner (University of Strathclyde) introduced the BenchmarkSet1500 dataset, highlighting regimes in which TD-DFT fails to accurately describe excited states. She further demonstrated how multireference electronic structure methods provide more reliable predictions of excited-state properties, enabling improved discovery of organic semiconductors.
