Zobrazeno 1 - 10
of 56
pro vyhledávání: '"Ollitrault, Pauline J"'
Autor:
Ollitrault, Pauline J., Cortes, Cristian L., Gonthier, Jerome F., Parrish, Robert M., Rocca, Dario, Anselmetti, Gian-Luca, Degroote, Matthias, Moll, Nikolaj, Santagati, Raffaele, Streif, Michael
The quantum phase estimation algorithm stands as the primary method for determining the ground state energy of a molecular electronic Hamiltonian on a quantum computer. In this context, the ability to initialize a classically tractable state that has
Externí odkaz:
http://arxiv.org/abs/2404.08565
Autor:
Cortes, Cristian L., Rocca, Dario, Gonthier, Jerome, Ollitrault, Pauline J., Parrish, Robert M., Anselmetti, Gian-Luca R., Degroote, Matthias, Moll, Nikolaj, Santagati, Raffaele, Streif, Michael
The computational cost of quantum algorithms for physics and chemistry is closely linked to the spectrum of the Hamiltonian, a property that manifests in the necessary rescaling of its eigenvalues. The typical approach of using the 1-norm as an upper
Externí odkaz:
http://arxiv.org/abs/2403.04737
Autor:
Rocca, Dario, Cortes, Cristian L., Gonthier, Jerome, Ollitrault, Pauline J., Parrish, Robert M., Anselmetti, Gian-Luca, Degroote, Matthias, Moll, Nikolaj, Santagati, Raffaele, Streif, Michael
Publikováno v:
J. Chem. Theory Comput. 2024, 20, 11, 4639-4653
Quantum phase estimation based on qubitization is the state-of-the-art fault-tolerant quantum algorithm for computing ground-state energies in chemical applications. In this context, the 1-norm of the Hamiltonian plays a fundamental role in determini
Externí odkaz:
http://arxiv.org/abs/2403.03502
Autor:
Ollitrault, Pauline J., Loipersberger, Matthias, Parrish, Robert M., Erhard, Alexander, Maier, Christine, Sommer, Christian, Ulmanis, Juris, Monz, Thomas, Gogolin, Christian, Tautermann, Christofer S., Anselmetti, Gian-Luca R., Degroote, Matthias, Moll, Nikolaj, Santagati, Raffaele, Streif, Michael
We present the first hardware implementation of electrostatic interaction energies using a trapped-ion quantum computer. As test system for our computation, we focus on the reduction of $\mathrm{NO}$ to $\mathrm{N}_2\mathrm{O}$ catalyzed by a nitric
Externí odkaz:
http://arxiv.org/abs/2312.14739
Autor:
Trenev, Dimitar, Ollitrault, Pauline J, Harwood, Stuart M., Gujarati, Tanvi P., Raman, Sumathy, Mezzacapo, Antonio, Mostame, Sarah
Accurate simulations of vibrational molecular spectra are expensive on conventional computers. Compared to the electronic structure problem, the vibrational structure problem with quantum computers is less investigated. In this work we accurately est
Externí odkaz:
http://arxiv.org/abs/2311.03719
Autor:
Ollitrault, Pauline J, Jandura, Sven, Miessen, Alexander, Burghardt, Irene, Martinazzo, Rocco, Tacchino, Francesco, Tavernelli, Ivano
Publikováno v:
Quantum 7, 1139 (2023)
The simulation of quantum dynamics calls for quantum algorithms working in first quantized grid encodings. Here, we propose a variational quantum algorithm for performing quantum dynamics in first quantization. In addition to the usual reduction in c
Externí odkaz:
http://arxiv.org/abs/2203.02521
Autor:
Rizzo, Jacopo, Libbi, Francesco, Tacchino, Francesco, Ollitrault, Pauline J., Marzari, Nicola, Tavernelli, Ivano
Publikováno v:
Phys. Rev. Research 4, 043011 (2022)
Many-body Green's functions encode all the properties and excitations of interacting electrons. While these are challenging to be evaluated accurately on a classical computer, recent efforts have been directed towards finding quantum algorithms that
Externí odkaz:
http://arxiv.org/abs/2201.01826
Publikováno v:
Phys. Rev. Research 3, 043212 (2021)
Quantum algorithms for quantum dynamics simulations are traditionally based on implementing a Trotter-approximation of the time-evolution operator. This approach typically relies on deep circuits and is therefore hampered by the substantial limitatio
Externí odkaz:
http://arxiv.org/abs/2108.04258
Autor:
Benfenati, Francesco, Mazzola, Guglielmo, Capecci, Chiara, Barkoutsos, Panagiotis Kl., Ollitrault, Pauline J., Tavernelli, Ivano, Guidoni, Leonardo
We propose a modification of the Variational Quantum Eigensolver algorithm for electronic structure optimization using quantum computers, named non-unitary Variational Quantum Eigensolver (nu-VQE), in which a non-unitary operator is combined with the
Externí odkaz:
http://arxiv.org/abs/2101.09316
In the near future, material and drug design may be aided by quantum computer assisted simulations. These have the potential to target chemical systems intractable by the most powerful classical computers. However, the resources offered by contempora
Externí odkaz:
http://arxiv.org/abs/2009.01872