10284 2026 eng e76167 article 0 2026-07-06 -- -- An exciting approach to theoretical spectroscopy Advanced Science 2601.11388 10.1002/advs.76167 10.1002/advs.76167 publish yes Martí Raya-Moreno Ronaldo Rodrigues Pela Noah Alexy Dasch Nasrin Farahani Ignacio Gonzalez Oliva Andris Gulans Manoar Hossain Hannah Kleine Martin Kuban Sven Lubeck Benedikt Maurer Pasquale Pavone Fabian Peschel Daria Popova-Gorelova Lu Qiao Elias Richter Santiago Rigamonti Ronaldo Rodrigues Pelá Kshitij Sinha Daniel T. Speckhard Sebastian Tillack Dmitry Tumakov Seokhyun Hong Janis Uzulis Mara Voiculescu Cecilia Vona Mao Yang Claudia Draxl Distributed Algorithms and Supercomputing Rodrigues Pelá, Ronaldo NHR@ZIB