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Education and qualifications (1)

University of California, San Diego: San Diego, California, US

PhD (Chemistry and Biochemistry)
Education
Source: Self-asserted source
Duo Song

Works (19)

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

The Journal of Physical Chemistry C
2024-04-04 | Journal article
DOI: 10.1021/acs.jpcc.3c07837
Contributors: Duo Song; Eric J. Bylaska; Kevin M. Rosso; Maria L. Sushko
Source: check_circle
Crossref

Facet-dependent dispersion and aggregation of aqueous hematite nanoparticles

Science Advances
2024-02-16 | Journal article
DOI: 10.1126/sciadv.adi7494
Contributors: Jianbin Zhou; Duo Song; Sebastian T. Mergelsberg; Yining Wang; Narendra M. Adhikari; Nabajit Lahiri; Yatong Zhao; Ping Chen; Zheming Wang; Xin Zhang et al.
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Crossref

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

The Journal of Chemical Physics
2024-02-14 | Journal article
DOI: 10.1063/5.0190686
Contributors: Duo Song; Eric J. Bylaska; Maria L. Sushko; Kevin M. Rosso
Source: check_circle
Crossref

Photolysis of Dissolved Organic Matter over Hematite Nanoplatelets

Environmental Science & Technology
2024-02-13 | Journal article
DOI: 10.1021/acs.est.3c08752
Contributors: Xiaopeng Huang; Duo Song; Qian Zhao; Robert P. Young; Ying Chen; Eric D. Walter; Nabajit Lahiri; Sandra D. Taylor; Zheming Wang; Kirsten S. Hofmockel et al.
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Crossref

Development and Application of Hybrid AIMD/cDFT Simulations for Atomic-to-Mesoscale Chemistry

2023-09-25 | Preprint
DOI: 10.26434/chemrxiv-2023-3scq4
Contributors: Duo Song; Eric Bylaska; Maria Sushko; Kevin Rosso
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Crossref

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

Journal of the American Chemical Society
2023-02-08 | Journal article
DOI: 10.1021/jacs.2c11291
Contributors: Nabajit Lahiri; Duo Song; Xin Zhang; Xiaopeng Huang; Kelsey A. Stoerzinger; O. Quinn Carvalho; Prajwal P. Adiga; Monika Blum; Kevin M. Rosso
Source: check_circle
Crossref

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

The Journal of Physical Chemistry A
2023-01-12 | Journal article
DOI: 10.1021/acs.jpca.2c07590
Part of ISSN: 1089-5639
Part of ISSN: 1520-5215
Contributors: John P. Perdew; Shah Tanvir ur Rahman Chowdhury; Chandra Shahi; Aaron D. Kaplan; Duo Song; Eric J. Bylaska
Source: Self-asserted source
Duo Song

Periodic plane-wave electronic structure calculations on quantum computers

Materials Theory
2023-01-03 | Journal article
DOI: 10.1186/s41313-022-00049-5
Part of ISSN: 2509-8012
Contributors: Duo Song; Nicholas P. Bauman; Guen Prawiroatmodjo; Bo Peng; Cassandra Granade; Kevin M. Rosso; Guang Hao Low; Martin Roetteler; Karol Kowalski; Eric J. Bylaska
Source: Self-asserted source
Duo Song

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

Journal of Nonlinear Science
2022-12 | Journal article
DOI: 10.1007/s00332-022-09845-2
Contributors: Michael Holst; Houdong Hu; Jianfeng Lu; Jeremy L. Marzuola; Duo Song; John Weare
Source: check_circle
Crossref

Particle-based hematite crystallization is invariant to initial particle morphology

Proceedings of the National Academy of Sciences
2022-03-15 | Journal article
DOI: 10.1073/pnas.2112679119
Contributors: Yining Wang; Sichuang Xue; Qingyun Lin; Duo Song; Yang He; Lili Liu; Jianbin Zhou; Meirong Zong; James J. De Yoreo; Junwu Zhu et al.
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Crossref

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

Environmental Science & Technology
2022-01-18 | Journal article
DOI: 10.1021/acs.est.1c03629
Contributors: Ping Chen; Duo Song; Xin Zhang; Qiaoqin Xie; Yuefei Zhou; Haibo Liu; Liang Xu; Tianhu Chen; Kevin M. Rosso
Source: check_circle
Crossref

Resolving Configurational Disorder for Impurities in a Low-Entropy Phase

The Journal of Physical Chemistry Letters
2021-06-24 | Journal article
DOI: 10.1021/acs.jpclett.1c01218
Contributors: Sebastian T. Mergelsberg; Micah Prange; Duo Song; Eric J. Bylaska; Sarah A. Saslow; Jeffrey G. Catalano; Eugene S. Ilton
Source: check_circle
Crossref

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

Frontiers in Chemistry
2021-03-18 | Journal article
DOI: 10.3389/fchem.2021.603019
Part of ISSN: 2296-2646
Contributors: Eric J. Bylaska; Duo Song; Nicholas P. Bauman; Karol Kowalski; Daniel Claudino; Travis S. Humble
Source: Self-asserted source
Duo Song

Molecular Examination of Ion-Pair Competition in Alkaline Aluminate Solutions Using In Situ Liquid SIMS

Analytical Chemistry
2021-01-19 | Journal article
DOI: 10.1021/acs.analchem.0c04070
Part of ISSN: 0003-2700
Part of ISSN: 1520-6882
Contributors: Yining Wang; Duo Song; Yadong Zhou; Cuixia Cheng; Yanyan Zhang; Carolyn Pearce; Zheming Wang; Sue B. Clark; Junwu Zhu; Kevin M. Rosso et al.
Source: Self-asserted source
Duo Song

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

Environmental Science & Technology
2021-01-05 | Journal article
DOI: 10.1021/acs.est.0c05592
Part of ISSN: 0013-936X
Part of ISSN: 1520-5851
Contributors: Meirong Zong; Duo Song; Xin Zhang; Xiaopeng Huang; Xiancai Lu; Kevin M. Rosso
Source: Self-asserted source
Duo Song

Electron transfer calculations between edge sharing octahedra in hematite, goethite, and annite

Geochimica et Cosmochimica Acta
2020-12 | Journal article
DOI: 10.1016/j.gca.2020.04.036
Part of ISSN: 0016-7037
Contributors: Eric J. Bylaska; Duo Song; Kevin M. Rosso
Source: Self-asserted source
Duo Song

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

The Journal of Physical Chemistry C
2020-11-05 | Journal article
DOI: 10.1021/acs.jpcc.0c07221
Part of ISSN: 1932-7447
Part of ISSN: 1932-7455
Contributors: Lili Liu; Duo Song; Biao Jin; Michael A. Sinnwell; jun liu; Given Names Deactivated Family Name Deactivated; Maria Sushko
Source: Self-asserted source
Duo Song

NWChem: Past, present, and future

The Journal of Chemical Physics
2020-05-14 | Journal article
DOI: 10.1063/5.0004997
Part of ISSN: 0021-9606
Part of ISSN: 1089-7690
Contributors: Edoardo Aprà; Eric Bylaska; Wibe de Jong; Niranjan Govind; Karol Kowalski; str ornl; Marat Valiev; H. J. J. van Dam; Yuri Alexeev; J. Anchell et al.
Source: Self-asserted source
Duo Song

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

Journal of Power Sources
2010-06-01 | Journal article
DOI: 10.1016/j.jpowsour.2009.12.079
Part of ISSN: 0378-7753
Contributors: Fei He; Duo Song; Ranran Peng; Guangyao Meng; Shangfeng Yang
Source: Self-asserted source
Duo Song

Peer review (3 reviews for 3 publications/grants)

Review activity for ACS omega. (1)
Review activity for Journal of engineering mechanics / (1)
Review activity for Materials theory. (1)
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