Zobrazeno 1 - 10
of 72
pro vyhledávání: '"Streif, Michael"'
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:
Simon, Sophia, Degroote, Matthias, Moll, Nikolaj, Santagati, Raffaele, Streif, Michael, Wiebe, Nathan
We provide a method for estimating the expectation value of an operator that can utilize prior knowledge to accelerate the learning process on a quantum computer. Specifically, suppose we have an operator that can be expressed as a concise sum of pro
Externí odkaz:
http://arxiv.org/abs/2402.14791
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:
Kiser, Matthew, Schroeder, Anna, Anselmetti, Gian-Luca R., Kumar, Chandan, Moll, Nikolaj, Streif, Michael, Vodola, Davide
Quantum-enhanced auxiliary field quantum Monte Carlo (QC-AFQMC) uses output from a quantum computer to increase the accuracy of its classical counterpart. The algorithm requires the estimation of overlaps between walker states and a trial wavefunctio
Externí odkaz:
http://arxiv.org/abs/2312.09872
Autor:
Simon, Sophia, Santagati, Raffaele, Degroote, Matthias, Moll, Nikolaj, Streif, Michael, Wiebe, Nathan
We present a super-polynomial improvement in the precision scaling of quantum simulations for coupled classical-quantum systems in this paper. Such systems are found, for example, in molecular dynamics simulations within the Born-Oppenheimer approxim
Externí odkaz:
http://arxiv.org/abs/2307.13033
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:
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:
Amsler, Maximilian, Deglmann, Peter, Degroote, Matthias, Kaicher, Michael P., Kiser, Matthew, Kühn, Michael, Kumar, Chandan, Maier, Andreas, Samsonidze, Georgy, Schroeder, Anna, Streif, Michael, Vodola, Davide, Wever, Christopher
In this work, we test a recently developed method to enhance classical auxiliary-field quantum Monte Carlo (AFQMC) calculations with quantum computers against examples from chemistry and material science, representatives of classes of industry-releva
Externí odkaz:
http://arxiv.org/abs/2301.11838