Zhiru Huang

5PUBLICATIONS
5CO-AUTHORS
Metal cluster chemistryTheoretical quantum chemistryTransport properties and non-equilibrium processesReaction kinetics and dynamics
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Publications (5)

|Apr 23, 2026
O-O hemi-bonding in cationic water clusters: Benchmarks from DFT, PNO-LCCSD(T), and FN-DMC.

|Jan 05, 2026
Effects of basis sets and tight d-functions in quantum Monte Carlo and CCSD(T) calculations with pseudopotentials.

Zhiru Huang, Fan Wang

|Feb 17, 2025
Accuracy of the diffusion quantum Monte Carlo method on dissociation curves of van der Waals systems with the single-Slater-Jastrow trial wavefunction.

Zhiru Huang, Xiaojun Zhou, Fan Wang

|Feb 04, 2024
Diffusion Monte Carlo method for barrier heights of multiple proton exchanges and complexation energies in small water, ammonia, and hydrogen fluoride clusters.

Xiaojun Zhou, Zhiru Huang, Xiao He

|Dec 11, 2023
Diffusion quantum Monte Carlo study on magnesium clusters as large as nanoparticles.

Zhiru Huang, Zhifan Wang, Xiaojun Zhou

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Frequent Collaborators

4 joint publications

Xiaojun Zhou

3 joint publications

Fan Wang

2 joint publications

Xiao He

1 joint publications

Zhifan Wang