An improved chain of spheres for exchange algorithmBenjamin Helmich‐Paris, Róbert Izsák, Bernardo de Souza et al.|The Journal of Chemical Physics|2021Cited by 528
Predicting Phosphorescence Rates of Light Organic Molecules Using Time-Dependent Density Functional Theory and the Path Integral Approach to DynamicsBernardo de Souza, Róbert Izsák, Giliandro Farias et al.|Journal of Chemical Theory and Computation|2019Cited by 327
On the theoretical prediction of fluorescence rates from first principles using the path integral approachBernardo de Souza, Róbert Izsák, Frank Neese|The Journal of Chemical Physics|2018Cited by 261
Quantum Computing in Pharma: A Multilayer Embedding Approach for Near Future ApplicationsRóbert Izsák, Patrick Schöpf, Christoph Riplinger et al.|arXiv (Cornell University)|2022Cited by 43
Redesigning donor–acceptor Stenhouse adduct photoswitches through a joint experimental and computational studyRomain Berraud‐Pache, Róbert Izsák, Eduardo Santamaría‐Aranda et al.|Chemical Science|2021Cited by 36