68 citations · 100 across the 6 of their papers we have counts for
4 papers · 1 filter
Improved modularity and new features in ipie: Toward even larger AFQMC calculations on CPUs and GPUs at zero and finite temperatures
Tong Jiang, Moritz K. A. Baumgarten, Pierre-François Loos +6
ipie is a Python-based auxiliary-field quantum Monte Carlo (AFQMC) package that has undergone substantial improvements since its initial release [J. Chem. Theory Comput., 2023, 19(…
Unbiasing Fermionic Auxiliary-Field Quantum Monte Carlo with Matrix Product State Trial Wavefunctions
Tong Jiang, Bryan O'Gorman, Ankit Mahajan +1
In this work, we report, for the first time, an implementation of fermionic auxiliary-field quantum Monte Carlo (AFQMC) using matrix product state (MPS) trial wavefunctions, dubbed…
Unified definition of exciton coherence length for exciton-phonon coupled molecular aggregates
Tong Jiang, Jiajun Ren, Zhigang Shuai
Exciton coherence length (ECL) is an essential concept to characterize the nature of exciton in molecular aggregates for photosynthesis, organic photovoltaics, and light-emitting d…
A General Automatic Method for Optimal Construction of Matrix Product Operators Using Bipartite Graph Theory
Jiajun Ren, Weitang Li, Tong Jiang +1
Constructing matrix product operators (MPO) is at the core of the modern density matrix renormalization group (DMRG) and its time dependent formulation. For DMRG to be conveniently…