Qiming Sun, Matthew R Hermes, Xiaojie Wu, Huanchen Zhai, Xing Zhang, Abdelrahman M Ahmed, Juan José Aucar, Oliver J Backhouse, Samragni Banerjee, Peng Bao, Nikolay A Bogdanov, Kyle Bystrom, Frédéric Chapoton, Ning-Yuan Chen, Ivan Yu Chernyshov, Helen S Clifford, Sander Cohen-Janes, Zhi-Hao Cui, Yann D Damour, Nike Dattani, Linus Bjarne Dittmer, Sebastian Ehlert, Janus Juul Eriksen, Francesco A Evangelista, Simon A Ewing, Ardavan Farahvash, Kevin Focke, Yang Gao, Kevin E Gasperich, Nathan Gillispie, Jonas Greiner, Matthew R Hennefarth, Jan Hermann, Christopher Hillenbrand, Joonatan Huhtasalo, Basil Ibrahim, Bhavnesh Jangid, Alireza Nejati Javaremi, Andrew J Jenkins, Yu Jin, Daniel S King, Derk Pieter Kooi, Jo S Kurian, Henrik R Larsson, Bryan Tak Gwong Lau, Seunghoon Lee, Susi Lehtola, Chenghan Li, Hao Li, Jiachen Li, Rui Li, Shuhang Li, Aleksandr O Lykhin, Ankit Mahajan, Nastasia Mauger, Pablo Del Mazo-Sevillano, Jonathan Moussa, Kousuke Nakano, Verena A Neufeld, Linqing Peng, Hung Q Pham, Peter Pinski, Pavel Pokhilko, Zhichen Pu, Yubing Qian, Stephen Jon Quiton, Wanja T Schulze, Thais R Scott, Aniruddha Seal, James D Serna, James E T Smith, Kori E Smyser, Terrence Stahl, Chong Sun, Kevin J Sung, Egor Trushin, Shiv Upadhyay, Ethan A Vo, Thijs Vogels, Shirong Wang, Tai Wang, Xiao Wang, Xubo Wang, Yuanheng Wang, Mark Williamson, Junjie Yang, Hong-Zhou Ye, Chia-Nan Yeh, Haiyang Yu, Jincheng Yu, Victor Wen-Zhe Yu, Chaoqun Zhang, Dayou Zhang, Yichi Zhang, Zijun Zhao, Zehao Zhou, Andrew J Zhu, Tianyu Zhu, Timothy C Berkelbach, Laura Gagliardi, Sandeep Sharma, Alexander Yu Sokolov, Garnet Kin-Lic Chan
Over the past decade, the Python-based Simulations of Chemistry Framework (PySCF) has developed into a widely used open-source platform for electronic-structure theory and quantum chemical method development. This article reviews the major advances since the previous overview in 2020, covering new modules and methodology, infrastructure changes, and performance benchmarks.