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Michele Pavanello

Professor

Leading PRG since 2012 — loves Python, and plays around with CADD at quantumclick.ai


Bhaskar Rana

Postdoc

Subsystem TDDFT and machine learning electronic structures of excited states



Jessica Martinez

Graduate Student

Working on embedding, static correlation and machine learning 2-rdms


Valeria Rios

Graduate Student

Working on orbital-free DFT and embedding machine learning 1-rdms




Alina Umerbekova

Graduate Student

Working on time-dependent subsystem DFT


Xin Chen

Postdoc (alumnus)

Xin works on a novel QM/MM implementation as well as on adaptive subsystem DFT


Xuecheng Shao

Alumnus

Developer of DFTpy, eDFTpy and QEpy. Since 2024, professor at Jilin University