Zobrazeno 1 - 10
of 133
pro vyhledávání: '"Loipersberger A."'
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:
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:
Loipersberger, Matthias, Malone, Fionn D., Welden, Alicia R., Parrish, Robert M., Fox, Thomas, Degroote, Matthias, Kyoseva, Elica, Moll, Nikolaj, Santagati, Raffaele, Streif, Michael
The computation of interaction energies on noisy intermediate-scale quantum (NISQ) computers appears to be challenging with straightforward application of existing quantum algorithms. For example, use of the standard supermolecular method with the va
Externí odkaz:
http://arxiv.org/abs/2207.00218
Autor:
Pauline J. Ollitrault, Matthias Loipersberger, Robert M. Parrish, Alexander Erhard, Christine Maier, Christian Sommer, Juris Ulmanis, Thomas Monz, Christian Gogolin, Christofer S. Tautermann, Gian-Luca R. Anselmetti, Matthias Degroote, Nikolaj Moll, Raffaele Santagati, Michael Streif
Publikováno v:
ACS Central Science, Vol 10, Iss 4, Pp 882-889 (2024)
Externí odkaz:
https://doaj.org/article/edeeacbc55284edaa53ecd604d1a52ff
Autor:
Das, A. K., Urban, L., Leven, I., Loipersberger, M., Aldossary, A., Head-Gordon, M., Head-Gordon, T.
Given the piecewise approach to modeling intermolecular interactions for force fields, they can be difficult to parameterize since they are fit to data like total energies that only indirectly connect to their separable functional forms. Furthermore,
Externí odkaz:
http://arxiv.org/abs/1905.07816
Akademický článek
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Autor:
Cristian L. Cortes, Matthias Loipersberger, Robert M. Parrish, Sam Morley-Short, William Pol, Sukin Sim, Mark Steudtner, Christofer S. Tautermann, Matthias Degroote, Nikolaj Moll, Raffaele Santagati, Michael Streif
Publikováno v:
PRX Quantum, Vol 5, Iss 1, p 010336 (2024)
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
Externí odkaz:
https://doaj.org/article/df48d5b94e384f09bc4d4aca9d96e953
Publikováno v:
In European Economic Review April 2022 143
Autor:
Mark Steudtner, Sam Morley-Short, William Pol, Sukin Sim, Cristian L. Cortes, Matthias Loipersberger, Robert M. Parrish, Matthias Degroote, Nikolaj Moll, Raffaele Santagati, Michael Streif
Publikováno v:
Quantum, Vol 7, p 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:
https://doaj.org/article/b5713eaf215c45a69d569848ea645d5d