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Machine learned features from density of states for accurate adsorption energy prediction

Nature communications, 2021-01, Vol.12 (1), p.88-88, Article 88

2021

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A Universal Model for Nanoporous Carbon Supercapacitors Applicable to Diverse Pore Regimes, Carbon Materials, and Electrolytes

Chemistry : a European journal, 2008-07, Vol.14 (22), p.6614-6626

2008

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Big–deep–smart data in imaging for guiding materials design

Nature materials, 2015-09, Vol.14 (10), p.973-980

2015

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Electronic Bandgap and Edge Reconstruction in Phosphorene Materials

Nano letters, 2014-11, Vol.14 (11), p.6400-6406

2014

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Theoretical Model for Nanoporous Carbon Supercapacitors

Angewandte Chemie (International ed.), 2008-01, Vol.47 (3), p.520-524

2008

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Benchmarking graph neural networks for materials chemistry

npj computational materials, 2021-06, Vol.7 (1), p.1-8, Article 84

2021

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Low-Frequency Shear and Layer-Breathing Modes in Raman Scattering of Two-Dimensional Materials

ACS nano, 2017-12, Vol.11 (12), p.11777-11802

2017

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Recent Advances in Two-Dimensional Materials beyond Graphene

ACS nano, 2015-12, Vol.9 (12), p.11509-11539

2015

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Low-Frequency Interlayer Raman Modes to Probe Interface of Twisted Bilayer MoS2

Nano letters, 2016-02, Vol.16 (2), p.1435-1444

2016

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Transition-Metal Substitution Doping in Synthetic Atomically Thin Semiconductors

Advanced materials (Weinheim), 2016-11, Vol.28 (44), p.9735-9743

2016

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Automated and Autonomous Experiments in Electron and Scanning Probe Microscopy

ACS nano, 2021-08, Vol.15 (8), p.12604-12627

2021

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Chemical nature of ferroelastic twin domains in CH3NH3PbI3 perovskite

Nature materials, 2018-11, Vol.17 (11), p.1013-1019

2018

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Prediction of Carbon Dioxide Adsorption via Deep Learning

Angewandte Chemie International Edition, 2019-01, Vol.58 (1), p.259-263

International ed. in English, 2019

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Low-Frequency Interlayer Breathing Modes in Few-Layer Black Phosphorus

Nano letters, 2015-06, Vol.15 (6), p.4080-4088

2015

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Density-functional approaches to noncovalent interactions: A comparison of dispersion corrections (DFT-D), exchange-hole dipole moment (XDM) theory, and specialized functionals

The Journal of chemical physics, 2011-02, Vol.134 (8), p.084107-084107-25

2011

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Big Effect of Small Nanoparticles: A Shift in Paradigm for Polymer Nanocomposites

ACS nano, 2017-01, Vol.11 (1), p.752-759

2017

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Anisotropic Electron-Photon and Electron-Phonon Interactions in Black Phosphorus

Nano letters, 2016-04, Vol.16 (4), p.2260-2267

2016

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Low-Frequency Raman Fingerprints of Two-Dimensional Metal Dichalcogenide Layer Stacking Configurations

ACS nano, 2015-06, Vol.9 (6), p.6333-6342

2015

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Alloy Engineering of Defect Properties in Semiconductors: Suppression of Deep Levels in Transition-Metal Dichalcogenides

Physical review letters, 2015-09, Vol.115 (12), p.126806-126806, Article 126806

2015

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Unique chemical reactivity of a graphene nanoribbon's zigzag edge

The Journal of chemical physics, 2007-04, Vol.126 (13), p.134701-134701-6

2007

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Enhanced Raman Scattering on In-Plane Anisotropic Layered Materials

Journal of the American Chemical Society, 2015-12, Vol.137 (49), p.15511-15517

2015

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Ion Distribution in Electrified Micropores and Its Role in the Anomalous Enhancement of Capacitance

ACS nano, 2010-04, Vol.4 (4), p.2382-2390

2010

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Ultrathin nanosheets of CrSiTe3: a semiconducting two-dimensional ferromagnetic material

Journal of materials chemistry. C, Materials for optical and electronic devices, 2016-01, Vol.4 (2), p.315-322

2016

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Interfacial Properties of Polymer Nanocomposites: Role of Chain Rigidity and Dynamic Heterogeneity Length Scale

Macromolecules, 2017-03, Vol.50 (6), p.2397-2406

2017

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Can a deep-learning model make fast predictions of vacancy formation in diverse materials?

AIP advances, 2023-09, Vol.13 (9), p.095109-095109-6

2023

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Machine learned features from density of states for accurate adsorption energy prediction

A Universal Model for Nanoporous Carbon Supercapacitors Applicable to Diverse Pore Regimes, Carbon Materials, and Electrolytes

Big–deep–smart data in imaging for guiding materials design

Electronic Bandgap and Edge Reconstruction in Phosphorene Materials

Theoretical Model for Nanoporous Carbon Supercapacitors

Benchmarking graph neural networks for materials chemistry

Low-Frequency Shear and Layer-Breathing Modes in Raman Scattering of Two-Dimensional Materials

Recent Advances in Two-Dimensional Materials beyond Graphene

Low-Frequency Interlayer Raman Modes to Probe Interface of Twisted Bilayer MoS2

Transition-Metal Substitution Doping in Synthetic Atomically Thin Semiconductors

Automated and Autonomous Experiments in Electron and Scanning Probe Microscopy

Chemical nature of ferroelastic twin domains in CH3NH3PbI3 perovskite

Prediction of Carbon Dioxide Adsorption via Deep Learning

Low-Frequency Interlayer Breathing Modes in Few-Layer Black Phosphorus

Density-functional approaches to noncovalent interactions: A comparison of dispersion corrections (DFT-D), exchange-hole dipole moment (XDM) theory, and specialized functionals

Big Effect of Small Nanoparticles: A Shift in Paradigm for Polymer Nanocomposites

Anisotropic Electron-Photon and Electron-Phonon Interactions in Black Phosphorus

Low-Frequency Raman Fingerprints of Two-Dimensional Metal Dichalcogenide Layer Stacking Configurations

Alloy Engineering of Defect Properties in Semiconductors: Suppression of Deep Levels in Transition-Metal Dichalcogenides

Unique chemical reactivity of a graphene nanoribbon's zigzag edge

Enhanced Raman Scattering on In-Plane Anisotropic Layered Materials

Ion Distribution in Electrified Micropores and Its Role in the Anomalous Enhancement of Capacitance

Ultrathin nanosheets of CrSiTe3: a semiconducting two-dimensional ferromagnetic material

Interfacial Properties of Polymer Nanocomposites: Role of Chain Rigidity and Dynamic Heterogeneity Length Scale

Can a deep-learning model make fast predictions of vacancy formation in diverse materials?

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