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Generalized unitary coupled cluster excitations for multireference molecular states optimized by the variational quantum eigensolver

International journal of quantum chemistry, 2021-02, Vol.121 (4), p.n/a

2021

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Quantum hardware calculations of the activation and dissociation of nitrogen on iron clusters and surfaces

Physical chemistry chemical physics : PCCP, 2024-02, Vol.26 (7), p.5895-596

2024

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Quantum computational quantification of protein–ligand interactions

International journal of quantum chemistry, 2022-11, Vol.122 (22), p.n/a

2022

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Adsorption of alcohols and hydrocarbons on nonstoichiometric cementite{010} surfaces

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (20), p.14133-14144

2018

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Spin crossover in Fe2SiO4 liquid at high pressure

Geophysical research letters, 2014-07, Vol.41 (13), p.4512-4518

2014

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The effect of defects and disorder on the electronic properties of ZnIr2O4

The Journal of chemical physics, 2014-08, Vol.141 (8), p.084704-084704

2014

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Variational Phase Estimation with Variational Fast Forwarding

Quantum (Vienna, Austria), 2024-03, Vol.8, p.1278, Article 1278

2024

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Demonstrating Bayesian quantum phase estimation with quantum error detection

Physical review research, 2024-02, Vol.6 (1), Article 013221

2024

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Quantum hardware calculations of periodic systems with partition-measurement symmetry verification: Simplified models of hydrogen chain and iron crystals

Physical review research, 2022-08, Vol.4 (3), Article 033110

2022

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Hybrid density functional calculations of the defect properties of ZnO:Rh and ZnO:Ir

Thin solid films, 2014-03, Vol.555, p.112-116

2014

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Quantum Computed Green's Functions using a Cumulant Expansion of the Lanczos Method

Quantum (Vienna, Austria), 2024-06, Vol.8, p.1383, Article 1383

2024

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Reducing unitary coupled cluster circuit depth by classical stochastic amplitude prescreening

Physical review research, 2022-06, Vol.4 (2), Article 023243

2022

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B3LYP calculations of cerium oxides

The Journal of chemical physics, 2010-02, Vol.132 (5), p.054110-054110-12

2010

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Greening the Bond Market: A European Perspective

1, 2023

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Nanoporous Crystal 12CaO·7Al2O3: A Playground for Studies of Ultraviolet Optical Absorption of Negative Ions

The journal of physical chemistry. B, 2007-03, Vol.111 (8), p.1946-1956

2007

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Adsorption of atmospheric gases on cementite 010 surfaces

The Journal of chemical physics, 2017-05, Vol.146 (20), p.204703-204703

2017

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Non-unitary Trotter circuits for imaginary time evolution

Quantum science and technology, 2024-10, Vol.9 (4), p.45007

2024

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Impact of amorphization on the electronic properties of Zn-Ir-O systems

Journal of physics. Condensed matter, 2016-09, Vol.28 (34), p.345502-345502

2016

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The vulnerable nanoscale dielectric

Physica status solidi. A, Applications and materials science, 2007-03, Vol.204 (3), p.653-662

2007

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Modelling carbon capture on metal-organic frameworks with quantum computing

EPJ quantum technology, 2022-12, Vol.9 (1), p.37, Article 37

2022

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Evaluating the noise resilience of variational quantum algorithms

Physical review. A, 2021-08, Vol.104 (2), Article 022403

2021

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Quantum computing simulation of a mixed spin-boson Hamiltonian and its performance for a cavity quantum electrodynamics problem

Physical review. A, 2024-03, Vol.109 (3), Article 032612

2024

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First principles selection and design of mid-IR nonlinear optical halide crystals

Journal of materials chemistry. C, Materials for optical and electronic devices, 2013-01, Vol.1 (44), p.7363-7370

2013

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Adsorption of alcohols and hydrocarbons on nonstoichiometric cementite{010} surfacesElectronic supplementary information (ESI) available: Geometry pictures and adsorption energy of local minima; lattice parameters and atom coordinates of the supercell models used in pdb format. See DOI: 10.1039/c8cp01028e

2018-05

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Spin crossover in Fe 2 SiO 4 liquid at high pressure

Geophysical research letters, 2014-07, Vol.41 (13), p.4512-4518

2014

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Generalized unitary coupled cluster excitations for multireference molecular states optimized by the variational quantum eigensolver

Quantum hardware calculations of the activation and dissociation of nitrogen on iron clusters and surfaces

Quantum computational quantification of protein–ligand interactions

Adsorption of alcohols and hydrocarbons on nonstoichiometric cementite{010} surfaces

Spin crossover in Fe2SiO4 liquid at high pressure

The effect of defects and disorder on the electronic properties of ZnIr2O4

Variational Phase Estimation with Variational Fast Forwarding

Demonstrating Bayesian quantum phase estimation with quantum error detection

Quantum hardware calculations of periodic systems with partition-measurement symmetry verification: Simplified models of hydrogen chain and iron crystals

Hybrid density functional calculations of the defect properties of ZnO:Rh and ZnO:Ir

Quantum Computed Green's Functions using a Cumulant Expansion of the Lanczos Method

Reducing unitary coupled cluster circuit depth by classical stochastic amplitude prescreening

B3LYP calculations of cerium oxides

Greening the Bond Market: A European Perspective

Nanoporous Crystal 12CaO·7Al2O3: A Playground for Studies of Ultraviolet Optical Absorption of Negative Ions

Adsorption of atmospheric gases on cementite 010 surfaces

Non-unitary Trotter circuits for imaginary time evolution

Impact of amorphization on the electronic properties of Zn-Ir-O systems

The vulnerable nanoscale dielectric

Modelling carbon capture on metal-organic frameworks with quantum computing

Evaluating the noise resilience of variational quantum algorithms

Quantum computing simulation of a mixed spin-boson Hamiltonian and its performance for a cavity quantum electrodynamics problem

First principles selection and design of mid-IR nonlinear optical halide crystals

Spin crossover in Fe 2 SiO 4 liquid at high pressure

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