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Is the Trotterized UCCSD Ansatz Chemically Well-Defined?

Journal of chemical theory and computation, 2020-01, Vol.16 (1), p.1-6

2020

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The basics of quantum computing for chemists

International journal of quantum chemistry, 2022-12, Vol.122 (23), p.n/a

Claudino, Daniel

2022

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ExaTN: Scalable GPU-Accelerated High-Performance Processing of General Tensor Networks at Exascale

Frontiers in applied mathematics and statistics, 2022-07, Vol.8 (1)

2022

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Benchmarking Adaptive Variational Quantum Eigensolvers

Frontiers in chemistry, 2020-12, Vol.8, p.606863-606863

2020

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Numerical simulations of noisy quantum circuits for computational chemistry

Materials theory, 2022-12, Vol.6 (1), p.1-17, Article 18

2022

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Extending C++ for Heterogeneous Quantum-Classical Computing

ACM transactions on quantum computing (Print), 2021-07, Vol.2 (2), p.1-36

2021

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Quantum Solvers for Plane-Wave Hamiltonians: Abridging Virtual Spaces Through the Optimization of Pairwise Correlations

Frontiers in chemistry, 2021-03, Vol.9 (1), p.603019-603019

2021

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Automatic Partition of Orbital Spaces Based on Singular Value Decomposition in the Context of Embedding Theories

Journal of chemical theory and computation, 2019-02, Vol.15 (2), p.1053-1064

2019

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Simple and Efficient Truncation of Virtual Spaces in Embedded Wave Functions via Concentric Localization

Journal of chemical theory and computation, 2019-11, Vol.15 (11), p.6085-6096

2019

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Automatic Partition of Orbital Spaces Based on Singular Value Decomposition in the Context of Embedding Theories

Journal of chemical theory and computation, 2019-01, Vol.15 (2)

2019

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Parallel quantum computing simulations via quantum accelerator platform virtualization

Future generation computer systems, 2024-11, Vol.160, p.264-273

2024

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Breves observações sobre a ideia de esgotamento do quadro-pintura

Griot : Revista de Filosofia, 2020-02, Vol.20 (1), p.1-16

De Sousa, Daniel Marcolino Claudino

2020

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An Attractive Way to Correct for Missing Singles Excitations in Unitary Coupled Cluster Doubles Theory

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2024-08

2024

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A new “gold standard”: Perturbative triples corrections in unitary coupled cluster theory and prospects for quantum computing

The Journal of chemical physics, 2024-06, Vol.160 (21)

2024

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Modeling Singlet Fission on a Quantum Computer

The journal of physical chemistry letters, 2023-06, Vol.14 (24), p.5511-5516

2023

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Breves observações sobre a ideia de esgotamento do quadro-pintura

Griot : Revista de Filosofia, 2020-07, Vol.20 (1), p.1-16

Claudino de Sousa, Daniel Marcolino

2020

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Coupled-cluster based basis sets for valence correlation calculations. New primitives, frozen atomic natural orbitals, and basis sets from double to hextuple zeta for atoms H, He, and B–Ne

The Journal of chemical physics, 2018-08, Vol.149 (6), p.064105-064105

2018

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Coupled-cluster based basis sets for valence correlation calculations

The Journal of chemical physics, 2016-03, Vol.144 (10), p.104106-104106

2016

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A Backend-agnostic, Quantum-classical Framework for Simulations of Chemistry in C++

ACM transactions on quantum computing (Print), 2023-03, Vol.4 (1), p.1-20, Article 2

2023

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Is the Trotterized UCCSD Ansatz Chemically Well-Defined?

Journal of chemical theory and computation, 2019-12, Vol.16 (1)

2019

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Erratum: “Coupled-cluster based basis sets for valence correlation calculations” [J. Chem. Phys. 144, 104106 (2016)]

The Journal of chemical physics, 2016-07, Vol.145 (1), p.019901-019901

2016

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Determination of consistent semiempirical one-centre integrals based on coupled-cluster theory

Molecular physics, 2017-03, Vol.115 (5), p.538-544

2017

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ExaTN: Scalable GPU-Accelerated High-Performance Processing of General Tensor Networks at Exascale

Frontiers in applied mathematics and statistics, 2022-07, Vol.8

2022

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Improving the accuracy and efficiency of quantum connected moments expansions This manuscript has been authored by UT-Battelle, LLC, under Contract No. DE-AC0500OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do

Quantum science and technology, 2021-06, Vol.6 (3)

2021

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Stress distribution around short implants with different frictional joint designs: a photoelastic colorimetric analysis / Distribuição de tensão em torno de implantes curtos com diferentes designs de fricção: uma análise colorimétrica

Brazilian Journal of Development, 2021-11, Vol.7 (11), p.106244-106255

2021

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Is the Trotterized UCCSD Ansatz Chemically Well-Defined?

The basics of quantum computing for chemists

ExaTN: Scalable GPU-Accelerated High-Performance Processing of General Tensor Networks at Exascale

Benchmarking Adaptive Variational Quantum Eigensolvers

Numerical simulations of noisy quantum circuits for computational chemistry

Extending C++ for Heterogeneous Quantum-Classical Computing

Quantum Solvers for Plane-Wave Hamiltonians: Abridging Virtual Spaces Through the Optimization of Pairwise Correlations

Automatic Partition of Orbital Spaces Based on Singular Value Decomposition in the Context of Embedding Theories

Simple and Efficient Truncation of Virtual Spaces in Embedded Wave Functions via Concentric Localization

Automatic Partition of Orbital Spaces Based on Singular Value Decomposition in the Context of Embedding Theories

Parallel quantum computing simulations via quantum accelerator platform virtualization

Breves observações sobre a ideia de esgotamento do quadro-pintura

An Attractive Way to Correct for Missing Singles Excitations in Unitary Coupled Cluster Doubles Theory

A new “gold standard”: Perturbative triples corrections in unitary coupled cluster theory and prospects for quantum computing

Modeling Singlet Fission on a Quantum Computer

Breves observações sobre a ideia de esgotamento do quadro-pintura

Coupled-cluster based basis sets for valence correlation calculations. New primitives, frozen atomic natural orbitals, and basis sets from double to hextuple zeta for atoms H, He, and B–Ne

Coupled-cluster based basis sets for valence correlation calculations

A Backend-agnostic, Quantum-classical Framework for Simulations of Chemistry in C++

Is the Trotterized UCCSD Ansatz Chemically Well-Defined?

Erratum: “Coupled-cluster based basis sets for valence correlation calculations” [J. Chem. Phys. 144, 104106 (2016)]

Determination of consistent semiempirical one-centre integrals based on coupled-cluster theory

ExaTN: Scalable GPU-Accelerated High-Performance Processing of General Tensor Networks at Exascale

Stress distribution around short implants with different frictional joint designs: a photoelastic colorimetric analysis / Distribuição de tensão em torno de implantes curtos com diferentes designs de fricção: uma análise colorimétrica

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