3 papers
physics.comp-ph2026
CDFCI: High-Performance Parallel Software for Many-Body Large-Scale Eigenvalue Problems
Yuejia Zhang, Zhe Wang, Jianfeng Lu +1
CDFCI is a shared-memory parallel numerical program for computing low-lying eigenpairs of large-scale, non-relativistic fermionic Hamiltonians. The software is designed to handle a…
physics.flu-dyn2025
Low-order reaction-diffusion system approximates heat transfer and flow structure in annular convection
Yuejia Zhang, Nicholas J. Moore, Jinzi Mac Huang
Heat transfer in a fluid can be greatly enhanced by natural convection, giving rise to the nuanced relationship between the Nusselt number and Rayleigh number that has been a focus…
physics.chem-ph2025
Parallel Multi-Coordinate Descent Methods for Full Configuration Interaction
Yuejia Zhang, Weiguo Gao, Yingzhou Li
We develop a multi-threaded parallel coordinate descent full configuration interaction algorithm (mCDFCI), for the electronic structure ground-state calculation in the configuratio…