A paper co-authored by Felix has been featured as the top highly cited paper in J. Chem. Theory Comput. for 2018. Our paper “Benchmarking Excited-State Calculations Using Exciton Properties” has received 22 citations since its publication in early 2018. The paper deals with the question of how we can assess the reliability of excited-state computations in a rigorous and reproducible fashion.
News
Midlands Computational Chemistry Meeting 2019
The date and place for the Midlands Computational Chemistry Meeting 2019 are fixed. The meeting will take place on 15 April 2019 at Loughborough University in West Park Teaching Hub. You can find the details here.
Highlight in ChemistryViews
Felix’ talk at the EuCheMS conference in Liverpool was highlighted in ChemistryViews. You can find the article here (scroll down to the blue box).
Release of TheoDORE 1.7
Version 1.7 of the excited state wavefunction analysis package TheoDORE has been released (download here or at the bottom of this page). TheoDORE 1.7 features an interface to ORBKIT, which provides extended plotting capabilities for transition densities, electron/hole densities, and orbitals.
