The Pavanello Research Group at Rutgers University-Newark seeks applicants for a Post-Doctoral Associate position to start in the summer 2024. We seek applicants who have strong skills in software development and who are comfortable with electronic structure theory (DFT, wavefunction methods). The appointment is initially for one year with the possibility of renewal upon mutual agreement and satisfactory performance.

The Pavanello group develops electronic structure methods based on orbital-free DFT, density embedding and machine learning. For each of these avenues of research, we consider ground electronic states as well as states out of equilibrium. The successful candidate will develop electronic structure methods based on density and (1- and 2-rdm) density-matrix embedding exploiting surrogate electronic structure solvers based on machine learning (see for example Nature Communications, v. 14, pp.6281 (2023)).

Interested candidates can consult the Pavanello group website, publication list and software stack:

DFTpy: orbital-free DFT/TD-DFT

QEpy: Quantum ESPRESSO in python

eQE and eDFTpy: density embedding / subsystem DFT

QMLearn: quantum machine learning (see also qmlearn.rutgers.edu)