Quantum HF/DFT-embedding algorithms for electronic structure calculations: Scaling up to complex molecular systems
- Max Rossmannek
- Panagiotis Kl. Barkoutsos
- et al.
- 2021
- Journal of Chemical Physics
Publications
This is our catalog of publications authored by IBM researchers, in collaboration with the global research community. It’s an ever-growing body of work that shows why IBM is one of the most important contributors to modern computing.
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93 results for Ivano Tavernelli
Microcanonical and finite-temperature ab initio molecular dynamics simulations on quantum computers
- Igor O. Sokolov
- Panagiotis Kl. Barkoutsos
- et al.
- 2021
- PRResearch
Toward scalable simulations of lattice gauge theories on quantum computers
- Simon V. Mathis
- Guglielmo Mazzola
- et al.
- 2020
- Physical Review D
Quantum equation of motion for computing molecular excitation energies on a noisy quantum processor
- Pauline J. Ollitrault
- Abhinav Kandala
- et al.
- 2020
- PRResearch
Quantum implementation of an artificial feed-forward neural network
- Francesco Tacchino
- Panagiotis Kl. Barkoutsos
- et al.
- 2020
- Quantum Science and Technology
Entanglement production and convergence properties of the variational quantum eigensolver
- Andreas J.C. Woitzik
- Panagiotis Kl. Barkoutsos
- et al.
- 2020
- Physical Review A
Optical absorption properties of metal-organic frameworks: Solid state: Versus molecular perspective
- Maria Fumanal
- Clémence Corminboeuf
- et al.
- 2020
- Physical Chemistry Chemical Physics
Charge Separation and Charge Carrier Mobility in Photocatalytic Metal-Organic Frameworks
- Maria Fumanal
- Andres Ortega-Guerrero
- et al.
- 2020
- Advanced Functional Materials
Correlation effects in parallel tempering and the role of the swapping frequency
- Ivano Tavernelli
- 2020
- Physical Chemistry Chemical Physics
Insights into the Electronic Properties and Charge Transfer Mechanism of a Porphyrin Ruthenium-Based Metal-Organic Framework
- Andres Ortega-Guerrero
- Maria Fumanal
- et al.
- 2020
- Chemistry of Materials