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Advancing Reproducibility and Open Data in Theoretical and Computational Chemistry
#473

J. Chem. Theory Comput.
2026
Advancing Reproducibility and Open Data in Theoretical and Computational Chemistry

Authors

Rommie E. Amaro, Victor Batista, Jochen Blumberger, Yee Siew Choong, Clémence Corminboeuf, Zoe Cournia, Qiang Cui, Marco De Vivo, Francesco A. Evangelista, Yi Qin Gao, Debashree Ghosh, Xiao He, Olexandr Isayev, Syma Khalid, Johannes Kirchmair, John R. Kitchin, Haiyan Liu, Kevin J. Naidoo, Duc Nguyen, Ariane Nunes Alves, Giulia Palermo, Brett Savoie, Thereza A. Soares, Pratyush Tiwary, Guowei Wei, Xiao Zheng, Tong Zhu, Kenneth M. Merz, Jr., Laura Gagliardi

Abstract

We are pleased to present this joint editorial from the Journal of Chemical Theory and Computation (JCTC) and the Journal of Chemical Information and Modeling (JCIM), reflecting our shared commitment to advancing reproducibility, transparency, and open science in theoretical and computational chemistry.