May 2024
Adam wins Q-Chem Michael Wormit Award!

Adam wins the annual Q-Chem Michael Wormit Award for outstanding Q-Chem developer. Congratulations Adam!
May 2024
Check out our new work on AFQMC!

Our group's new work "Unbiasing Fermionic Auxiliary-Field Quantum Monte Carlo with Matrix Product State Trial Wavefunctions" led by Tong is out on the arxiv! We combined fermionic QMC with tensor network for the first time. Promising heuristics were tested to successfully unbiasing fermionic phaseless AFQMC energies, in both one-dimensional and two-dimensional ab initio strongly correlated systems. We proposed a methodology that eliminates a significant computational overhead (i.e., basis set size) in the standard fermionic MPS simulations. Our results also provide insights that explain the success of QC-AFQMC.
April 2024
PJ Wins Prestigious "2024 Arnold O. Beckman Postdoctoral Fellowship in Chemical Sciences"

Congratulations PJ! See press article here
April 2024
Hieu passes qualification examination!

Congratulations Hieu! Get updated on his future works.
March 2024
Check out our new review paper!

Our group's new review paper "Condensed-Phase Quantum Chemistry" by PJ, Adam, Hieu, Nemo, and Joonho, is out on the arxiv! In this review, we summarize important concepts for quantum chemistry in condensed phase and discuss recent progress in the field.
January 2024
Adam receives HQI Postdoctoral Fellowship

Congratulations Adam!
December 2023
Our Group's first member-led paper!

Check out our first member-led work, “Unified Framework for Open Quantum Dynamics with Memory” by Felix, Lachlan, and Joonho, which was just out on arXiv! We showed how two prominent methods in non-Markovian Open Quantum Dynamics are fundamentally related through a novel diagrammatic approach. We also showed how this approach could have applications in quantum sensing and Hamiltonian learning. The group celebrated this milestone and the holiday season by having a party at Joonho's place--cheers for what's to come!
December 2023
Lee Group Holiday Party!

PJ graciously hosts the members for a Holiday Party celebrating the coming Christmas and New Year. What fun!
November 2023
The second group outing.

Joonho and the members enjoy a Thanksgiving lunch in company at Smoke Shop. Yum!
August 2023
Joonho named a Laureate of the 2023 Blavatnik Regional Awards for Young Scientists!

We are thrilled to share that Joonho had been named a Laureate of the 2023 Blavatnik Regional Awards for Young Scientists. Laureates are awarded $30,000 each and two Finalists in each disciplinary category are awarded $10,000 each in unrestricted funds. In 2023, there were 121 nominations from 28 academic institutions in the New York metropolitan region. Joonho was recognized for "development of state-of-the-art quantum chemistry algorithms for classical and quantum computers. Lee’s work aims to provide a microscopic understanding of emergent functional materials, including solar cells, electrocatalysts for the hydrogen economy, and optoelectronics." See the full article here.
August 2023
PJ Robinson and Adam Rettig join the group!

We welcome postdocs PJ Robinson from Columbia University and Adam Rettig from UC Berkeley.
August 2023
The group visits the Harvard Museum of Natural History!

To commemorate the first month anniversary of the group, Joonho and the members spent a wonderful afternoon together in the Harvard Museum of Natural History. Get to know us and what we are up to.
July 2023
Tong and Zeyu join the group!

Experienced postdocs Tong Jiang from Tsinghua University and Zeyu Zhou from the University of Pennsylvania are joining the group. Tong will apply his expertise on numerical methods for electron correlation problems, while Zeyu is working on understanding various approximations for polaron transport in solids. We are happy to have Tong and Zeyu onboard! Monitor their future works.
July 2023
The group officially starts!

Reach out if you'd like to join, and keep an eye out for our upcoming works.
April 2023
Adrian joins the group!

After a productive QSE rotation, Adrian decides to join the Lee Group! He will be thinking about the frontier of quantum advantage with the quantum-classical quantum Monte Carlo (QC-QMC) algorithm and other classical applications of Auxiliary Field Quantum Monte Carlo (AFQMC). Welcome Adrian! Get posted on his future works.
December 2022
Artur and Hieu join the group!

We are extremely pleased to welcome Artur and Hieu! Artur is computing electron-phonon matrix elements from first principles, while Hieu is working on testing the boundaries of the celebrated variational quantum eigensolver (VQE) approach. Get updated on their future works.