Zobrazeno 1 - 10
of 322
pro vyhledávání: '"Parrish, Robert"'
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:
Cortes, Cristian L., Loipersberger, Matthias, Parrish, Robert M., Morley-Short, Sam, Pol, William, Sim, Sukin, Steudtner, Mark, Tautermann, Christofer S., Degroote, Matthias, Moll, Nikolaj, Santagati, Raffaele, Streif, Michael
The efficient computation of observables beyond the total energy is a key challenge and opportunity for fault-tolerant quantum computing approaches in quantum chemistry. Here we consider the symmetry-adapted perturbation theory (SAPT) components of t
Externí odkaz:
http://arxiv.org/abs/2305.07009
Autor:
Parrish, Robert M.
The MultiExp Gaussian quadrature rule proposed by Gill and Chien has many compelling properties for the integration of radial integrands encountered in electronic structure, but thus far has only been computed up to N = 50, with some nontrivial holes
Externí odkaz:
http://arxiv.org/abs/2305.01621
Autor:
Steudtner, Mark, Morley-Short, Sam, Pol, William, Sim, Sukin, Cortes, Cristian L., Loipersberger, Matthias, Parrish, Robert M., Degroote, Matthias, Moll, Nikolaj, Santagati, Raffaele, Streif, Michael
Publikováno v:
Quantum 7, 1164 (2023)
Over the past three decades significant reductions have been made to the cost of estimating ground-state energies of molecular Hamiltonians with quantum computers. However, comparatively little attention has been paid to estimating the expectation va
Externí odkaz:
http://arxiv.org/abs/2303.14118
Autor:
Santagati, Raffaele, Aspuru-Guzik, Alan, Babbush, Ryan, Degroote, Matthias, Gonzalez, Leticia, Kyoseva, Elica, Moll, Nikolaj, Oppel, Markus, Parrish, Robert M., Rubin, Nicholas C., Streif, Michael, Tautermann, Christofer S., Weiss, Horst, Wiebe, Nathan, Utschig-Utschig, Clemens
Publikováno v:
Nature Physics 2024
Quantum computers promise to impact industrial applications, for which quantum chemical calculations are required, by virtue of their high accuracy. This perspective explores the challenges and opportunities of applying quantum computers to drug desi
Externí odkaz:
http://arxiv.org/abs/2301.04114
Autor:
Oumarou, Oumarou, Scheurer, Maximilian, Parrish, Robert M., Hohenstein, Edward G., Gogolin, Christian
Publikováno v:
Quantum 8, 1371 (2024)
We propose the regularized compressed double factorization (RC-DF) method to classically compute compressed representations of molecular Hamiltonians that enable efficient simulation with noisy intermediate scale (NISQ) and error corrected quantum al
Externí odkaz:
http://arxiv.org/abs/2212.07957
Autor:
Parrish, Robert M.
Quantum chemistry is plagued by the presence of high-rank quantities, stemming from the N-body nature of the electronic Schrödinger equation. These high-rank quantities present a significant mathematical and computational barrier to the computation
Externí odkaz:
http://hdl.handle.net/1853/53850