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Michele Pavanello


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

Xin Chen


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

Alina Umerbekova

Graduate Student

Working on time-dependent subsystem DFT

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

Ezekiel Oyeniyi

Visiting PhD student

Ezekiel collaborates with PRG on a project to develop quality local pseudopotentials for transition metal elements

Nicolas Viot

Undergraduate Student

Nicolas is developing new kernel ridge regressions for learning 1-body reduced density matrices

Kaili Jiang


Developer of time-dependent OFDFT – Joined Microsoft in November 2022