Members

Joonho Lee
Principal Investigator

About Joonho

617-384-05(eight)(two)

joonholee@g.harvard.edu

Patricia McGarry
Lab Administrator

Office: Cv 106

pmcgarry@fas.harvard.edu

Adam Rettig
Postdoc

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.

arettig@fas.harvard.edu
Google scholar

PJ Robinson
Postdoc

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. PJ is a receipient of the 2024 Arnold O. Beckman Postdoctoral Fellowship in Chemical Sciences.

pjrobinson@fas.harvard.edu
Google scholar

Tong Jiang
Postdoc

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.

tongjiang@g.harvard.edu
personal webpage

Liwen Ko
Postdoc

Liwen obtained his PhD degree in Chemistry at the University of California, Berkeley, working with Prof. Birgitta Whaley. His PhD work focused on the theory of quantum light spectroscopy and its application to studying photosynthetic energy transfer. In the Lee group, he is interested in developing first-principle methods to understand chemical dynamics on surfaces, with applications to electrocatalysis.

liwenko@fas.harvard.edu

Hieu Dinh
Graduate Student (CCB, G3)

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 on efficient evaluation of periodic exact exchange for condensed phase systems.

hieudinh@g.harvard.edu

Aadithya Ganeshram
Graduate Student (CCB, G2)

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.

aganeshram@g.harvard.edu

Anton Ni
Graduate Student (CCB, G2)

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.

antonni@g.harvard.edu

Jinghong Zhang
Graduate Student (CCB, G2)

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). In the Lee group he is currently working on some variations of the Auxiliary Field Quantum Monte Carlo (AFQMC) method.

jinghongzhang@g.harvard.edu

Moritz Baumgarten
Graduate Student (CCB, G2)

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.

mbaumgarten@g.harvard.edu

Nemo Chen
Graduate Student (CCB, G2)

Nemo (Meng-Fu) completed his undergraduate degree in 2023 at National University of Singapore (NUS), where he worked with Prof. Richard Wong and Prof. Shaffique Adam. In the Lee group, Nemo is working on implementing wavefunction-based correlation methods for periodic systems.

mengfu_chen@g.harvard.edu

Hamlin Wu
Rotation Student (CCB, G1)

Hamlin attended UC Berkeley. He is now studying electron-phonon interactions.

hamlin_wu@fas.harvard.edu

Patryk Kozlowski
Rotation Student (CCB, G1)

Patryk received a B.S. in Chemistry in 2024 from Caltech where he worked with Prof. Garnet Chan on methods within many-body perturbation theory, including the GW approximation. Now, he works on applying Green’s functions to theoretical solid-state spectroscopies. He is co-advised by gpt-01.

patryk_kozlowski@g.harvard.edu

Vasil Rokaj
Visiting Scientist

Vasilis Rokaj is an assistant professor at Villanova University. Before joining Villanova, he was an ITAMP fellow at Harvard University, and obtained his Ph.D. (summa cum laude) from the University of Hamburg. His research focuses on the control of quantum materials with cavity vacuum fields. He collaborates with the Lee group on the control of electron-phonon interactions, and their phases, via strong coupling in quantum cavities.

Shu Fay Ung
Visiting Graduate Student

Shu Fay is a visiting graduate student advised by Prof. David Reichman at Columbia University. Her research focuses on studying strongly correlated electronic states in moiré systems via a variety of wavefunction-based methods. In particular, she hopes to understand the complexity in the energy landscape exhibited in moiré models that suggests possible self-generated glassy dynamics. In the Lee group, she works on graphene-based moiré systems.

su2254@columbia.edu

Shea Britt
Undergraduate Student

Shea is a senior concentrating in Chemistry and Physics and Applied Mathematics. In the Lee Group, he is working on further development of the hybrid AFQMC method. Outside of his research, he enjoys reading new books, playing volleyball, and trying new restaurants.

Ray Zhou
Undergraduate Student

Ray Zhou is a sophomore concentrating in Chemistry. In the Lee lab, he is working on implementing density functional tight binding method for condensed matter systems. Outside of academics, he enjoys the colour aquamarine.

Max Neal
Undergraduate Student

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 (joonholee@g.harvard.edu) 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.

  Postdocs 

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.