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Data-Driven Learning of Total and Local Energies in Elemental Boron

Physical review letters, 2018-04, Vol.120 (15), p.156001-156001, Article 156001

2018

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Symmetry-Adapted Machine Learning for Tensorial Properties of Atomistic Systems

Physical review letters, 2018-01, Vol.120 (3), p.036002-036002, Article 036002

2018

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Origins of structural and electronic transitions in disordered silicon

Nature (London), 2021-01, Vol.589 (7840), p.59-64

2021

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On representing chemical environments

Physical review. B, Condensed matter and materials physics, 2013-05, Vol.87 (18), Article 184115

2013

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Accuracy and transferability of Gaussian approximation potential models for tungsten

Physical review. B, Condensed matter and materials physics, 2014-09, Vol.90 (10), Article 104108

2014

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Incompleteness of Atomic Structure Representations

Physical review letters, 2020-10, Vol.125 (16), p.166001-166001, Article 166001

2020

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Gaussian approximation potentials: the accuracy of quantum mechanics, without the electrons

Physical review letters, 2010-04, Vol.104 (13), p.136403-136403, Article 136403

2010

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Machine-learning approach for one- and two-body corrections to density functional theory: Applications to molecular and condensed water

Physical review. B, Condensed matter and materials physics, 2013-08, Vol.88 (5), Article 054104

2013

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Growth Mechanism and Origin of High sp^{3} Content in Tetrahedral Amorphous Carbon

Physical review letters, 2018-04, Vol.120 (16), p.166101-166101

2018

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Nested Transition Path Sampling

Physical review letters, 2018-06, Vol.120 (25), p.250601-250601, Article 250601

2018

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Towards an atomistic understanding of disordered carbon electrode materials

Chemical communications (Cambridge, England), 2018, Vol.54 (47), p.5988-5991

2018

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Experimentally Driven Automated Machine-Learned Interatomic Potential for a Refractory Oxide

Physical review letters, 2021-04, Vol.126 (15), p.156002-156002, Article 156002

2021

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Identification of novel macropinocytosis inhibitors using a rational screen of Food and Drug Administration‐approved drugs

British journal of pharmacology, 2018-09, Vol.175 (18), p.3640-3655

2018

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Structural simplicity as a restraint on the structure of amorphous silicon

Physical review. B, 2017-06, Vol.95 (22), p.224108, Article 224108

2017

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Visualizing Membrane Ruffle Formation using Scanning Electron Microscopy

Journal of visualized experiments, 2021-05 (171)

2021

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Low Speed Crack Propagation via Kink Formation and Advance on the Silicon (110) Cleavage Plane

Physical review letters, 2015-09, Vol.115 (13), p.135501-135501, Article 135501

2015

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The role of the interlayer state in the electronic structure of superconducting graphite intercalated compounds

Nature physics, 2005-10, Vol.1 (1), p.42-45

2005

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Chemically active substitutional nitrogen impurity in carbon nanotubes

Physical review letters, 2003-09, Vol.91 (10), p.105502-105502, Article 105502

2003

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Fractal-small-world dichotomy in real-world networks

Physical review. E, Statistical, nonlinear, and soft matter physics, 2004-07, Vol.70 (1 Pt 2), p.016122-016122, Article 016122

2004

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Growth Mechanism and Origin of High sp3 Content in Tetrahedral Amorphous Carbon

Physical review letters, 2018-04, Vol.120 (16), p.166101

2018

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Erratum: On representing chemical environments [Phys. Rev. B 87 , 184115 (2013)]

Physical review. B, 2017-07, Vol.96 (1), Article 019902

2017

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Growth Mechanism and Origin of High s p 3 Content in Tetrahedral Amorphous Carbon

Physical review letters, 2018-04, Vol.120 (16), Article 166101

2018

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Towards an atomistic understanding of disordered carbon electrode materials† †Electronic supplementary information (ESI) available: Computational details; further analysis; coordinate files in various formats. See DOI: 10.1039/c8cc01388h

Chemical communications (Cambridge, England), 2018-05, Vol.54 (47), p.5988-5991

2018

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Tensor-Reduced Atomic Density Representations

Physical review letters, 2023-07, Vol.131 (2), p.028001-028001, Article 028001

2023

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Learn on the fly: A hybrid classical and quantum-mechanical molecular dynamics simulation

Physical review letters, 2004-10, Vol.93 (17), p.175503.1-175503.4, Article 175503

2004

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Data-Driven Learning of Total and Local Energies in Elemental Boron

Symmetry-Adapted Machine Learning for Tensorial Properties of Atomistic Systems

Origins of structural and electronic transitions in disordered silicon

On representing chemical environments

Accuracy and transferability of Gaussian approximation potential models for tungsten

Incompleteness of Atomic Structure Representations

Gaussian approximation potentials: the accuracy of quantum mechanics, without the electrons

Machine-learning approach for one- and two-body corrections to density functional theory: Applications to molecular and condensed water

Growth Mechanism and Origin of High sp^{3} Content in Tetrahedral Amorphous Carbon

Nested Transition Path Sampling

Towards an atomistic understanding of disordered carbon electrode materials

Experimentally Driven Automated Machine-Learned Interatomic Potential for a Refractory Oxide

Identification of novel macropinocytosis inhibitors using a rational screen of Food and Drug Administration‐approved drugs

Structural simplicity as a restraint on the structure of amorphous silicon

Visualizing Membrane Ruffle Formation using Scanning Electron Microscopy

Low Speed Crack Propagation via Kink Formation and Advance on the Silicon (110) Cleavage Plane

The role of the interlayer state in the electronic structure of superconducting graphite intercalated compounds

Chemically active substitutional nitrogen impurity in carbon nanotubes

Fractal-small-world dichotomy in real-world networks

Growth Mechanism and Origin of High sp3 Content in Tetrahedral Amorphous Carbon

Erratum: On representing chemical environments [Phys. Rev. B 87 , 184115 (2013)]

Growth Mechanism and Origin of High s p 3 Content in Tetrahedral Amorphous Carbon

Towards an atomistic understanding of disordered carbon electrode materials† †Electronic supplementary information (ESI) available: Computational details; further analysis; coordinate files in various formats. See DOI: 10.1039/c8cc01388h

Tensor-Reduced Atomic Density Representations

Learn on the fly: A hybrid classical and quantum-mechanical molecular dynamics simulation

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