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Decoherence in Molecular Electron Spin Qubits: Insights from Quantum Many-Body Simulations

The journal of physical chemistry letters, 2020-03, Vol.11 (6), p.2074-2078

2020

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Extraordinary Hydrogen Evolution and Oxidation Reaction Activity from Carbon Nanotubes and Graphitic Carbons

ACS nano, 2014-08, Vol.8 (8), p.8447-8456

2014

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Doping effects of Se vacancies in monolayer FeSe

Physical review. B, Condensed matter and materials physics, 2014-01, Vol.89 (2), Article 020501

2014

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Glass transition temperatures of binary oxides from ab initio simulations

APL materials, 2023-08, Vol.11 (8), p.081113-081113-6

2023

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Charge Transport in a Quantum Dot Supercrystal

Journal of physical chemistry. C, 2011-11, Vol.115 (43), p.21409-21415

2011

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Density functional study of gold and iron clusters on perfect and defected graphene

Physical review. B, Condensed matter and materials physics, 2012-04, Vol.85 (16), Article 165444

2012

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Absence of a Dirac cone in silicene on Ag(111): First-principles density functional calculations with a modified effective band structure technique

Physical review. B, Condensed matter and materials physics, 2013-06, Vol.87 (24), Article 245430

2013

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Electronic Detection of Oxygen Adsorption and Size‐Specific Doping of Few‐Atom Gold Clusters on Graphene

Advanced materials interfaces, 2018-12, Vol.5 (24), p.n/a

2018

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Bulk Separative Enrichment in Metallic or Semiconducting Single-Walled Carbon Nanotubes

Nano letters, 2003-09, Vol.3 (9), p.1245-1249

2003

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Electronic control of strong magnetic anisotropy in Co-based single-molecule magnets

Physical review. B, 2021-10, Vol.104 (13), p.1, Article 134411

2021

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Thickness-dependent spin bistable transitions in single-crystalline molecular 2D material

NPJ 2D materials and applications, 2022-09, Vol.6 (1), p.1-6, Article 59

2022

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Conformational Electroresistance and Hysteresis in Nanoclusters

Nano letters, 2014-08, Vol.14 (8), p.4476-4479

2014

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Metal-terminated graphene nanoribbons

Physical review. B, Condensed matter and materials physics, 2010-11, Vol.82 (20), Article 205429

2010

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Determining gap nodal structures in Fe-based superconductors: Theory of the angle dependence of the low-temperature specific heat in an applied magnetic field

Physical review. B, Condensed matter and materials physics, 2008-05, Vol.77 (18), Article 180514

2008

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Fabrication and Low-Temperature Characterization of Phthalocyanine Molecular Tunnel Heterojunctions

Journal of physical chemistry. C, 2023-09, Vol.127 (35), p.17473-17481

2023

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Electronic and transport properties of azobenzene monolayer junctions as molecular switches

Physical review. B, Condensed matter and materials physics, 2012-07, Vol.86 (3), Article 035444

2012

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Effects of strain and defects on the electron conductance of metallic carbon nanotubes

Physical review. B, Condensed matter and materials physics, 2007-06, Vol.75 (23), Article 235429

2007

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First-principles simulations of a graphene-based field-effect transistor

Physical review. B, Condensed matter and materials physics, 2015-06, Vol.91 (24), Article 245307

2015

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Exploring the Magnetic Properties of the Largest Single-Molecule Magnets

The journal of physical chemistry letters, 2020-05, Vol.11 (10), p.3789-3795

2020

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Origin of the second peak in the mechanical loss function of amorphous silica

Physical review. B, 2017-01, Vol.95 (1), p.014109, Article 014109

2017

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Spin dependent resonant electron tunneling through planar graphene barriers

Carbon (New York), 2019-04, Vol.144 (C), p.362-369

2019

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Long-Range Magnetic Exchange Pathways in Complex Clusters from First Principles

Journal of physical chemistry. C, 2021-05, Vol.125 (20), p.11124-11131

2021

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Interedge magnetic coupling in transition-metal terminated graphene nanoribbons

Physical review. B, Condensed matter and materials physics, 2011-03, Vol.83 (11), Article 113402

2011

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Manipulating the Phonon Bottleneck in Graphene Quantum Dots: Phonon-Induced Carrier Relaxation within the Linear Response Theory

Journal of physical chemistry. C, 2015-10, Vol.119 (39), p.22357-22369

2015

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Using Hyperoptimized Tensor Networks and First-Principles Electronic Structure to Simulate the Experimental Properties of the Giant {Mn84} Torus

The journal of physical chemistry letters, 2022-03, Vol.13 (10), p.2365-2370

2022

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Decoherence in Molecular Electron Spin Qubits: Insights from Quantum Many-Body Simulations

Extraordinary Hydrogen Evolution and Oxidation Reaction Activity from Carbon Nanotubes and Graphitic Carbons

Doping effects of Se vacancies in monolayer FeSe

Glass transition temperatures of binary oxides from ab initio simulations

Charge Transport in a Quantum Dot Supercrystal

Density functional study of gold and iron clusters on perfect and defected graphene

Absence of a Dirac cone in silicene on Ag(111): First-principles density functional calculations with a modified effective band structure technique

Electronic Detection of Oxygen Adsorption and Size‐Specific Doping of Few‐Atom Gold Clusters on Graphene

Bulk Separative Enrichment in Metallic or Semiconducting Single-Walled Carbon Nanotubes

Electronic control of strong magnetic anisotropy in Co-based single-molecule magnets

Thickness-dependent spin bistable transitions in single-crystalline molecular 2D material

Conformational Electroresistance and Hysteresis in Nanoclusters

Metal-terminated graphene nanoribbons

Determining gap nodal structures in Fe-based superconductors: Theory of the angle dependence of the low-temperature specific heat in an applied magnetic field

Fabrication and Low-Temperature Characterization of Phthalocyanine Molecular Tunnel Heterojunctions

Electronic and transport properties of azobenzene monolayer junctions as molecular switches

Effects of strain and defects on the electron conductance of metallic carbon nanotubes

First-principles simulations of a graphene-based field-effect transistor

Exploring the Magnetic Properties of the Largest Single-Molecule Magnets

Origin of the second peak in the mechanical loss function of amorphous silica

Spin dependent resonant electron tunneling through planar graphene barriers

Long-Range Magnetic Exchange Pathways in Complex Clusters from First Principles

Interedge magnetic coupling in transition-metal terminated graphene nanoribbons

Manipulating the Phonon Bottleneck in Graphene Quantum Dots: Phonon-Induced Carrier Relaxation within the Linear Response Theory

Using Hyperoptimized Tensor Networks and First-Principles Electronic Structure to Simulate the Experimental Properties of the Giant {Mn84} Torus

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