Joonho Lee
Principal Investigator

About Joonho


Hieu Dinh
Graduate Student (CCB, G2)

Hieu received his B.S. from the Massachusetts Institute of Technology in 2022, where he worked with Prof. Yogesh Surendranath.  Hieu joined the Lee group in December of 2022 and is currently working on a project critically assessing the practicality of the variational quantum eigensolver (VQE) approach.

Felix Ivander
QSE Rotation Student

Felix worked under Prof. Dvira Segal at the University of Toronto on beyond-perturbative quantum master equations and on understanding nontrivial quantum effects; and with Prof. Birgitta Whaley at UC Berkeley on pseudo-hermitian open quantum systems. In the Lee group, Felix is working on developing numerically exact quantum dynamics methods.
personal webpage

Zeyu Zhou

Zeyu obtained his Ph.D. from the University of Pennsylvania, working with Professors Joseph Subotnik and Abraham Nitzan. He studied polaritons and semiclassical simulations of them during his Ph.D. In the Lee group, Zeyu is working on understanding various approximations for polaron transport in solids.
Google scholar

Tong Jiang

Tong finished his Ph.D. at Tsinghua University, working with Prof. Zhigang Shuai. In his Ph.D., he developed and applied density matrix renormalization group approaches to model exciton-phonon problems. He is joining the Lee group to broaden his numerical expertise to electron correlation methods.
personal webpage

PJ Robinson

PJ finished his Ph.D. at Columbia University, working with Prof. David Reichman. In his Ph.D., he developed and applied self-consistent cumulant Green's function approaches to model electron-phonon problems. He also formulated a wavefunction method for describing polarons in an ab initio set-up. He is joining the Lee group to develop and apply periodic quantum chemistry methods to electrocatalysis problems.
Google scholar

Adam Rettig

Adam finished his Ph.D. at the University of California, Berkeley, under the guidance of Prof. Martin Head-Gordon. In his Ph.D., he has made numerous contributions to quantum chemistry, including the fast algorithms for exact exchange under periodic boundary conditions. He is the lead developer of Q-Chem's periodic boundary condition codebase (qcpbc) and will oversee the future development of qcpbc in the Lee group. He will also work on the development of quantum computing algorithms relevant to biological applications.
Google scholar

Jinghong Zhang
Graduate Student (CCB, G1)

Jinghong finished his undergraduate at Peking University under the supervision of Prof. Hong Jiang, where he worked on the application of Dynamical Mean Field Theory (DMFT). He is now a rotation student in the Lee group, and he is currently working on some variations of the Auxiliary Field Quantum Monte Carlo (AFQMC) method.

Aadithya Ganeshram
Graduate Student (CCB, G1)

Aadithya completed his undergraduate degree in chemistry at the University of Oxford, where he worked with Prof. Artur Izmaylov (University of Toronto) on measurement in quantum computing. Following this, Aadithya completed a master’s project on spin-coupling effects in strongly correlated systems with Prof. David Tew. In the Lee group, Aadithya works on embedding approaches for condensed phase systems.

Patricia McGarry
Lab Administrator

Office: Cv 106

Nemo Chen
Graduate Student (CCB, G1)

Nemo completed his undergraduate degree in 2022 at National University of Singapore (NUS), where he worked under Prof. Richard Wong and Prof. Shaffique Adam. In the Lee group, Nemo is working on implementing regularized MP2 methods for periodic systems.

Moritz Baumgarten
Graduate Student (CCB, G1)

Moritz graduated from ETH Zürich with an MSc in interdisciplinary Sciences. Throughout his studies he worked with Prof. Alex Thom (University of Cambridge) on developing a NOCI-QMC method and with Prof. Laura Gagliardi (University of Chicago) on ab initio NAMD methods utilizing pair-density functional theory. In the Lee group, Moritz focuses on the advancement of QMC methods for efficient capture of electron-phonon effects.

Anton Ni
Graduate Student (CCB, G1)

Anton received his B.S. in Chemistry and Math from MIT in 2023, where he did research under Prof. Stephen Buchwald. In the Lee group, Anton is working on methods to model systems in heterogeneous electrocatalysis.

Join our team

We are looking for applications from postdocs and students committed to advocacy for diversity and inclusion in science. Qualified candidates are expected to have interests in method development for quantum chemistry and high-performance computing.

Please reach out to Joonho ( with a few sentences about your research interest, your CV and contact information for 2-3 letter writers.

  Graduate Students

Our group aims to recruit 1-3 graduate students every year.


Candidates should have a PhD or equivalent degree in Chemistry, Physics, Chemical Engineering, Materials Science,  Applied Mathematics, Computer Science, or other relevant fields. 

Currently, candidates with method development experience in electronic structure, open quantum system dynamics or quantum information science are preferred.

  Undergraduate Students

Our group welcomes motivated undergraduate students.

  Visiting Scholars

Our group welcomes domestic and international visiting scholars.
Masters projects are also available.