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Add author position (First/Co-first/Contributing) to publications; remove CV from nav
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_data/navigation.yml

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- title: "Portfolio"
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url: /portfolio/
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- title: "CV"
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url: /cv/

_publications/2023-04-01-deep-learning-magnetic-superstructures.md

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@@ -3,7 +3,7 @@ title: "Deep-learning electronic-structure calculation of magnetic superstructur
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collection: publications
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category: manuscripts
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permalink: /publication/2023-04-01-deep-learning-magnetic-superstructures
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excerpt: 'Extending DeepH to magnetic materials with DFT accuracy.'
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excerpt: 'Co-first author. Extending DeepH to magnetic materials with DFT accuracy.'
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date: 2026-05-26
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venue: "Nat. Comput. Sci. <b>3</b>, 321-327 (2023) [Cover story]"
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paperurl: 'https://www.nature.com/articles/s43588-023-00424-3'

_publications/2024-01-01-deeph2.md

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@@ -3,7 +3,7 @@ title: "DeepH-2: Enhancing deep-learning electronic structure via an equivariant
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collection: publications
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category: preprints
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permalink: /publication/2024-01-01-deeph2
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excerpt: 'New-generation deep-learning electronic Hamiltonian framework with equivariant transformer.'
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excerpt: 'Co-first author. New-generation deep-learning electronic Hamiltonian framework with equivariant transformer.'
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date: 2026-05-20
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venue: "arXiv:2401.17015"
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paperurl: 'https://arxiv.org/abs/2401.17015'

_publications/2024-03-01-deep-learning-dfpt.md

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@@ -3,7 +3,7 @@ title: "Deep-learning density functional perturbation theory"
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collection: publications
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category: manuscripts
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permalink: /publication/2024-03-01-deep-learning-dfpt
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excerpt: 'Deep-learning DFPT for accelerating electron-phonon coupling calculations.'
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excerpt: 'Co-first author. Deep-learning DFPT for accelerating electron-phonon coupling calculations.'
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date: 2026-05-28
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venue: "Phys. Rev. Lett. <b>132</b>, 096401 (2024) [Editors&apos; suggestion]"
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paperurl: 'https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.132.096401'

_publications/2024-04-01-twisted-materials-deeph.md

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@@ -3,7 +3,7 @@ title: "Deep-Learning Database of Density Functional Theory Hamiltonians for Twi
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collection: publications
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category: preprints
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permalink: /publication/2024-04-01-twisted-materials-deeph
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excerpt: 'Deep-learning DFT Hamiltonian database for twisted moire materials.'
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excerpt: 'Contributing author. Deep-learning DFT Hamiltonian database for twisted moire materials.'
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date: 2026-05-19
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venue: "arXiv:2404.06449"
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paperurl: 'https://arxiv.org/abs/2404.06449'

_publications/2024-06-01-density-matrix-deep-learning.md

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@@ -3,7 +3,7 @@ title: "Improving density matrix electronic structure method by deep learning"
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collection: publications
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category: preprints
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permalink: /publication/2024-06-01-density-matrix-deep-learning
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excerpt: 'Deep-learning enhanced density matrix-based electronic structure methods.'
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excerpt: 'First author (co-first). Deep-learning enhanced density matrix-based electronic structure methods.'
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date: 2026-05-22
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venue: "arXiv:2406.17561"
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paperurl: 'https://arxiv.org/abs/2406.17561'

_publications/2024-07-01-real-space-dft-hamiltonian.md

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@@ -3,7 +3,7 @@ title: "Deep learning density functional theory Hamiltonian in real space"
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collection: publications
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category: preprints
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permalink: /publication/2024-07-01-real-space-dft-hamiltonian
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excerpt: 'Deep-learning DFT Hamiltonians directly in real space, bypassing basis set limitations.'
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excerpt: 'Co-first author. Deep-learning DFT Hamiltonians directly in real space, bypassing basis set limitations.'
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date: 2026-05-21
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venue: "arXiv:2407.14379"
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paperurl: 'https://arxiv.org/abs/2407.14379'

_publications/2024-07-01-universal-materials-model.md

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@@ -3,7 +3,7 @@ title: "Universal materials model of deep-learning density functional theory Ham
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collection: publications
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category: manuscripts
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permalink: /publication/2024-07-01-universal-materials-model
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excerpt: 'Universal materials model for deep-learning DFT Hamiltonians across diverse systems.'
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excerpt: 'Co-first author. Universal materials model for deep-learning DFT Hamiltonians across diverse systems.'
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date: 2026-05-25
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venue: "Sci. Bull. <b>69</b>, 2514 (2024) [Cover story]"
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paperurl: 'https://www.sciencedirect.com/science/article/pii/S2095927324004079'

_publications/2024-08-01-neural-nn-dft-variational.md

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@@ -3,7 +3,7 @@ title: "Neural-network density functional theory based on variational energy min
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collection: publications
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permalink: /publication/2024-08-01-neural-nn-dft-variational
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excerpt: 'Neural-network DFT incorporating physical principles via variational energy minimization.'
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excerpt: 'Co-first author. Neural-network DFT incorporating physical principles via variational energy minimization.'
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date: 2026-05-27
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venue: "Phys. Rev. Lett. <b>133</b>, 076401 (2024) [Editors&apos; suggestion]"
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paperurl: 'https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.133.076401'

_publications/2024-10-01-deep-hybrid-dft.md

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@@ -3,7 +3,7 @@ title: "A deep equivariant neural network approach for efficient hybrid density
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collection: publications
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permalink: /publication/2024-10-01-deep-hybrid-dft
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excerpt: 'Deep equivariant neural network for efficient hybrid DFT calculations.'
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excerpt: 'First author (co-first). Deep equivariant neural network for efficient hybrid DFT calculations.'
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date: 2026-06-01
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venue: "Nat. Commun. <b>15</b>, 8815 (2024)"
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paperurl: 'https://www.nature.com/articles/s41467-024-53028-4'

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