most citedImplementation of the Density-functional Theory on Quantum Computers with Linear Scaling with respect to the Number of Atoms

2 citations · 3 across the 2 of their papers we have counts for

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2 papers

quant-ph2023★ 2 cited

Implementation of the Density-functional Theory on Quantum Computers with Linear Scaling with respect to the Number of Atoms

Taehee Ko, Xiantao Li, Chunhao Wang

Density-functional theory (DFT) has revolutionized computer simulations in chemistry and material science. A faithful implementation of the theory requires self-consistent calculat…

physics.chem-ph2023★ 1 cited

Using Diffusion Maps to Analyze Reaction Dynamics for a Hydrogen Combustion Benchmark Dataset

Taehee Ko, Joseph Heindel, Xingyi Guan +3

We use local diffusion maps to assess the quality of two types of collective variables (CVs) for a recently published hydrogen combustion benchmark dataset~\cite{guan2022benchmark}…