Xiao Wang

9PUBLICATIONS
98CO-AUTHORS
Formal methods for softwareInorganic materials (incl. nanomaterials)Nonlinear optics and spectroscopyElectrical energy generation (incl. renewables, excl. photovoltaics)Condensed matter modelling and density functional theory
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Publications (9)

|Sep 10, 2026
The Python simulations of chemistry framework: 10 years of an open-source quantum chemistry project.

|Jan 29, 2026
Interface-Induced Symmetry-Breaking Processes Behind Intrinsic Chirality in Lead Halide Metal-Ligand Complexes and Perovskite Nanoclusters.

Celia Todd, Kai-Chun Chou, Mariam Khvichia

|Sep 03, 2024
Modulating molecular plasmons in naphthalene via intermolecular interactions and strong light-matter coupling.

Zhen Liu, Xiao Wang

|Jan 24, 2024
Performance of periodic EOM-CCSD for bandgaps of inorganic semiconductors and insulators.

Ethan A Vo, Xiao Wang, Timothy C Berkelbach

|Nov 08, 2022
Accurate thermochemistry of covalent and ionic solids from spin-component-scaled MP2.

Tamar Goldzak, Xiao Wang, Hong-Zhou Ye

|Nov 05, 2021
Robust Pipek-Mezey Orbital Localization in Periodic Solids.

Marjory C Clement, Xiao Wang, Edward F Valeev

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Frequent Collaborators

5 joint publications

Timothy C Berkelbach

2 joint publications

Hong-Zhou Ye

2 joint publications

Ethan A Vo

1 joint publications

Tian-Yu Sun