Publications by authors named "Wenhui Mi"

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PVP pre-intercalation engineering combined with the V/V dual-valence modulation strategy for energy storage in aqueous zinc-ion batteries.
Wenhui Mi, Bosi Yin, Haixi Gu, Hanyu Wen, Zhibiao Wang

Nanoscale Horiz· June 2025

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Dicarboxylate recognition based on ultracycle hosts through cooperative hydrogen bonding and anion-π interactions.
Wen-Hui Mi, Teng-Yu Huang, Xu-Dong Wang, Yu-Fei Ao, Qi-Qiang Wang

Beilstein J Org Chem· May 2025

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Active Poly(o-phenylenediamine)-Intercalated Layered δ-MnO Cathode for High-Performance Aqueous Zinc-Ion Batteries.
Ziqian Yuan, Bosi Yin, Wenhui Mi, Minghui Liu, Siwen Zhang

Polymers (Basel)· April 2025

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Nonadiabatic molecular dynamics with subsystem density functional theory: application to crystalline pentacene.
Qingxin Zhang, Xuecheng Shao, Wei Li, Wenhui Mi, Michele Pavanello

J Phys Condens Matter· June 2024

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Orbital-Free Density Functional Theory: An Attractive Electronic Structure Method for Large-Scale First-Principles Simulations.
Wenhui Mi, Kai Luo, S B Trickey, Michele Pavanello

Chem Rev· November 2023

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Density Embedding Method for Nanoscale Molecule-Metal Interfaces.
Xuecheng Shao, Wenhui Mi, Michele Pavanello

J Phys Chem Lett· August 2022

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Nonlocal pseudopotential energy density functional for orbital-free density functional theory.
Qiang Xu, Cheng Ma, Wenhui Mi, Yanchao Wang, Yanming Ma

Nat Commun· March 2022

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GGA-Level Subsystem DFT Achieves Sub-kcal/mol Accuracy Intermolecular Interactions by Mimicking Nonlocal Functionals.
Xuecheng Shao, Wenhui Mi, Michele Pavanello

J Chem Theory Comput· June 2021

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Efficient DFT Solver for Nanoscale Simulations and Beyond.
Xuecheng Shao, Wenhui Mi, Michele Pavanello

J Phys Chem Lett· May 2021

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Nonlocal Subsystem Density Functional Theory.
Wenhui Mi, Michele Pavanello

J Phys Chem Lett· January 2020

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Ab Initio Structure and Dynamics of CO at Supercritical Conditions.
Wenhui Mi, Pablo Ramos, Jack Maranhao, Michele Pavanello

J Phys Chem Lett· December 2019

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Nonlocal kinetic energy functionals by functional integration.
Wenhui Mi, Alessandro Genova, Michele Pavanello

J Chem Phys· May 2018

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O(NlogN) scaling method to evaluate the ion-electron potential of crystalline solids.
Xuecheng Shao, Wenhui Mi, Qiang Xu, Yanchao Wang, Yanming Ma

J Chem Phys· November 2016

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First-principle optimal local pseudopotentials construction via optimized effective potential method.
Wenhui Mi, Shoutao Zhang, Yanchao Wang, Yanming Ma, Maosheng Miao

J Chem Phys· April 2016

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