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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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Physisorption and Chemisorption on Silver Clusters

Chemphyschem, 2015-03, Vol.16 (4), p.855-865

2015

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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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Quantum-Inspired Algorithm for the Factorized Form of Unitary Coupled Cluster Theory

Journal of chemical theory and computation, 2021-02, Vol.17 (2), p.841-847

2021

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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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Search for Toroidal Ground State and Magnetoelectric Effects in Molecular Spin Triangles with Antiferromagnetic Exchange

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2023-05, Vol.127 (17), p.3814-3823

2023

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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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Low-Depth Unitary Coupled Cluster Theory for Quantum Computation

Journal of chemical theory and computation, 2022-04, Vol.18 (4), p.2193-2198

2022

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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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OPAL: A multiscale multicenter simulation package based on MPI-2 protocol

International journal of quantum chemistry, 2011-12, Vol.111 (15), p.4020-4029

2011

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Ligand Optimization of Exchange Interaction in Co(II) Dimer Single Molecule Magnet by Machine Learning

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2022-02, Vol.126 (4), p.529-535

2022

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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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Dipole Switching by Intramolecular Electron Transfer in Single-Molecule Magnetic Complex [Mn12O12(O2CR)16(H2O)4]

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2022-08, Vol.126 (32), p.5265-5272

2022

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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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Water Clusters: Fascinating Hydrogen-Bonding Networks, Solvation Shell Structures, and Proton Motion

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 1998-07, Vol.102 (31), p.6201-6204

Cheng, Hai-Ping

1998

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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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Reversible Spin Polarization at Hybrid Organic–Ferromagnetic Interfaces

The journal of physical chemistry letters, 2013-10, Vol.4 (20), p.3508-3512

2013

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Cation Substitution Effect on a Molecular Analogue of Perovskite Manganites

Journal of physical chemistry. C, 2017-05, Vol.121 (20), p.10893-10898

2017

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First-Principles Studies of Photoinduced Charge Transfer in Noncovalently Functionalized Carbon Nanotubes

Journal of physical chemistry. C, 2013-09, Vol.117 (35), p.17909-17918

2013

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Working at the interface

Molecular physics, 2010-11, Vol.108 (21-23), p.3235-3248

Cheng, Hai-Ping

2010

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Atomistic Origins of Molecular Memristors

Journal of physical chemistry. C, 2009-12, Vol.113 (48), p.20713-20718

2009

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Ab Initio Calculation of a Graphene-Ribbon-Based Molecular Switch

Journal of physical chemistry. C, 2007-09, Vol.111 (38), p.14266-14273

2007

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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

Physisorption and Chemisorption on Silver Clusters

Charge Transport in a Quantum Dot Supercrystal

Quantum-Inspired Algorithm for the Factorized Form of Unitary Coupled Cluster Theory

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

Search for Toroidal Ground State and Magnetoelectric Effects in Molecular Spin Triangles with Antiferromagnetic Exchange

Conformational Electroresistance and Hysteresis in Nanoclusters

Low-Depth Unitary Coupled Cluster Theory for Quantum Computation

Fabrication and Low-Temperature Characterization of Phthalocyanine Molecular Tunnel Heterojunctions

OPAL: A multiscale multicenter simulation package based on MPI-2 protocol

Ligand Optimization of Exchange Interaction in Co(II) Dimer Single Molecule Magnet by Machine Learning

Exploring the Magnetic Properties of the Largest Single-Molecule Magnets

Dipole Switching by Intramolecular Electron Transfer in Single-Molecule Magnetic Complex [Mn12O12(O2CR)16(H2O)4]

Spin dependent resonant electron tunneling through planar graphene barriers

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

Water Clusters: Fascinating Hydrogen-Bonding Networks, Solvation Shell Structures, and Proton Motion

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

Reversible Spin Polarization at Hybrid Organic–Ferromagnetic Interfaces

Cation Substitution Effect on a Molecular Analogue of Perovskite Manganites

First-Principles Studies of Photoinduced Charge Transfer in Noncovalently Functionalized Carbon Nanotubes

Working at the interface

Atomistic Origins of Molecular Memristors

Ab Initio Calculation of a Graphene-Ribbon-Based Molecular Switch

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