Duo Song - Dissemin

All papers authored by Duo Song

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2024 Duo Song

, Eric J. Bylaska

, Kevin M. Rosso

, Maria L. Sushko

Role of Dynamic Polarization Interactions in the Electrical Double Layer at Calcite (104) Interfaces with Aqueous Solutions

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Jianbin Zhou

, Duo Song

, Sebastian T. Mergelsberg

, Yining Wang

, Narendra M. Adhikari

, Nabajit Lahiri

, Yatong Zhao

, Ping Chen

, Zheming Wang

, Xin Zhang

, Kevin M. Rosso

Facet-dependent dispersion and aggregation of aqueous hematite nanoparticles

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Duo Song

, Eric J. Bylaska

, Maria L. Sushko

, Kevin M. Rosso

Development and application of hybrid AIMD/cDFT simulations for atomic-to-mesoscale chemistry

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2023 Nabajit Lahiri

, Duo Song

, Xin Zhang

, Xiaopeng Huang

, Kelsey A. Stoerzinger

, O. Quinn Carvalho

, Prajwal P. Adiga, Monika Blum

, Kevin M. Rosso

Interplay between Facets and Defects during the Dissociative and Molecular Adsorption of Water on Metal Oxide Surfaces

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Duo Song

, Nicholas P. Bauman, Guen Prawiroatmodjo, Bo Peng, Cassandra Granade, Kevin M. Rosso, Guang Hao Low, Martin Roetteler, Karol Kowalski, Eric J. Bylaska

Periodic plane-wave electronic structure calculations on quantum computers

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2022 John P. Perdew

, Shah Tanvir ur Rahman Chowdhury, Chandra Shahi, Aaron D. Kaplan

, Duo Song

, Eric J. Bylaska

Symmetry Breaking with the SCAN Density Functional Describes Strong Correlation in the Singlet Carbon Dimer

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Michael Holst, Houdong Hu, Jianfeng Lu, Jeremy L. Marzuola

, Duo Song

, John Weare

Symmetry Breaking and the Generation of Spin Ordered Magnetic States in Density Functional Theory Due to Dirac Exchange for a Hydrogen Molecule

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Yining Wang

, Sichuang Xue, Qingyun Lin

, Duo Song

, Yang He, Lili Liu

, Jianbin Zhou

, Meirong Zong, James J. De Yoreo, Junwu Zhu, Kevin M. Rosso

, Maria L. Sushko

, Xin Zhang

Particle-based hematite crystallization is invariant to initial particle morphology

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Ping Chen, Duo Song

, Xin Zhang

, Qiaoqin Xie, Yuefei Zhou, Haibo Liu

, Liang Xu, Tianhu Chen, Kevin M. Rosso

Understanding Competitive Phosphate and Silicate Adsorption on Goethite by Connecting Batch Experiments with Density Functional Theory Calculations

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2021 Sebastian T. Mergelsberg

, Micah Prange

, Duo Song

, Eric J. Bylaska

, Sarah A. Saslow

, Jeffrey G. Catalano

, Eugene S. Ilton

Resolving Configurational Disorder for Impurities in a Low-Entropy Phase

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Eric J. Bylaska, Duo Song

, Nicholas P. Bauman, Karol Kowalski, Daniel Claudino, Travis S. Humble

Quantum Solvers for Plane-Wave Hamiltonians: Abridging Virtual Spaces Through the Optimization of Pairwise Correlations

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2020 Meirong Zong

, Duo Song

, Xin Zhang

, Xiaopeng Huang

, Xiancai Lu

, Kevin M. Rosso

Facet-Dependent Photodegradation of Methylene Blue by Hematite Nanoplates in Visible Light

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Lili Liu

, Duo Song

, Biao Jin, Michael A. Sinnwell

, Jun Liu

, James J. De Yoreo

, Maria L. Sushko

Role of the Solvent–Surfactant Duality of Ionic Liquids in Directing Two-Dimensional Particle Assembly

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Eric J. Bylaska, Duo Song

, Kevin M. Rosso

Electron Transfer Calculations Between Edge Sharing Octahedra in Hematite, Goethite, and Annite

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2010 Fei He, Duo Song

, Ranran Peng, Guangyao Meng, Shangfeng Yang

Electrode performance and analysis of reversible solid oxide fuel cells with proton conducting electrolyte of BaCe0.5Zr0.3Y0.2O3−δ

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All papers authored by Duo Song