Publications



Stay tuned for our group's future research activities!


You can find Joonho's full list of publications on his Google scholar page
Here are a few recent representative papers:



Condensed-phase
quantum chemistry

Faster Exact Exchange for Solids via occ-RI-K: Application to Combinatorially Optimized Range-Separated Hybrid Functionals for Simple Solids Near the Basis Set Limit

Joonho Lee, Adam Rettig, Xintian Feng, Evgeny Epifanovsky, Martin Head-Gordon

Link

Electrons coupled
to bosons

Constrained-path auxiliary-field quantum Monte Carlo for coupled electrons and phonons

Joonho Lee, Shiwei Zhang, David R. Reichman

Link

Quantum computing for quantum chemistry


Unbiasing fermionic quantum Monte Carlo with a quantum computer

William J. Huggins, Bryan A. O’Gorman, Nicholas C. Rubin, David R. Reichman, Ryan Babbush, Joonho Lee

Link

Tensor factorization and compression

Systematically Improvable Tensor Hypercontraction: Interpolative Separable Density-Fitting for Molecules Applied to Exact Exchange, Second- and Third-Order Møller–Plesset Perturbation Theory

Joonho Lee, Lin Lin, Martin Head-Gordon

Link

Strong electron
correlation

Twenty Years of Auxiliary-Field Quantum Monte Carlo in Quantum Chemistry: An Overview and Assessment on Main Group Chemistry and Bond-Breaking

Joonho Lee, Hung Q. Pham, David R. Reichman

Link