Automated Virtual Design of Organic Semiconductors Based on Metal-Organic Frameworks by Mersad Mostaghimi, Celso R. C. Rêgo, Ritesh Haldar, Christof Wöll, Wolfgang Wenzel, Mariana Kozlowska

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SimStack: An Intuitive Workflow Framework by Celso R. C. Rêgo, Jörg Schaarschmidt, Tobias Schlöder, Montserrat Penaloza-Amion, Saientan Bag, Tobias Neumann, Timo Strunk, Wolfgang Wenzel

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Revealing the impact of organic spacers and cavity cations on quasi-2D perovskites via computational simulations by Diego Guedes-Sobrinho, Danilo Neves Silveira, Luis O. de Araujo, Jônatas Favotto Dalmedico, W. Wenzel, Y. Pramudya, Maurício J. Piotrowski, Celso R. C. Rêgo

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Unveiling oxygen vacancy impact on lizardite thermo and mechanical properties by H. Pecinatto, Celso R. C. Rêgo, W. Wenzel, C. A. Frota, B. M. S. Perrone, Maurício J. Piotrowski, Diego Guedes-Sobrinho, Alexandre C. Dias, Cicero Mota, M. S. S. Gusmão, H. O. Frota

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