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André, Tomas
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André, T. & Sjöqvist, E. (2022). Dark path holonomic qudit computation. Physical Review A. Atomic, Molecular, and Optical Physics, 106(6), Article ID 062402.
Öppna denna publikation i ny flik eller fönster >>Dark path holonomic qudit computation
2022 (Engelska)Ingår i: Physical Review A. Atomic, Molecular, and Optical Physics, ISSN 1050-2947, E-ISSN 1094-1622, Vol. 106, nr 6, artikel-id 062402Artikel i tidskrift (Refereegranskat) Published
Abstract [en]

Nonadiabatic holonomic quantum computation is a method used to implement high-speed quantum gates with non-Abelian geometric phases associated with paths in state space. Due to their noise tolerance, these phases can be used to construct error resilient quantum gates. We extend the holonomic dark path qubit scheme in [M.-Z. Ai et al., Fundam. Res. 2, 661 (2022)] to qudits. Specifically, we demonstrate one- and two-qudit universality by using the dark path technique. Explicit qutrit (d = 3) gates are demonstrated and the scaling of the number of loops with the dimension d is addressed. This scaling is linear and we show how any diagonal qudit gate can be implemented efficiently in any dimension.

Ort, förlag, år, upplaga, sidor
American Physical Society, 2022
Nyckelord
Qudit computation, quantum holonomy, reverse engineering
Nationell ämneskategori
Atom- och molekylfysik och optik
Forskningsämne
Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik
Identifikatorer
urn:nbn:se:uu:diva-481238 (URN)10.1103/PhysRevA.106.062402 (DOI)000920582400001 ()
Forskningsfinansiär
Vetenskapsrådet, 2017-03832
Tillgänglig från: 2022-08-08 Skapad: 2022-08-08 Senast uppdaterad: 2023-09-21Bibliografiskt granskad
André, T., Dawod, I., Cardoch, S., Timneanu, N. & Caleman, C.Macromolecule classification using X-ray laser induced fragmentation simulated with hybrid Monte Carlo/Molecular Dynamics.
Öppna denna publikation i ny flik eller fönster >>Macromolecule classification using X-ray laser induced fragmentation simulated with hybrid Monte Carlo/Molecular Dynamics
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(Engelska)Manuskript (preprint) (Övrigt vetenskapligt)
Abstract [en]

We have developed a hybrid Monte Carlo and classical molecular dynamics code to follow the ultrafast atomic dynamics in biological macromolecules induced by a femtosecond X-ray laser. Our model for fragmentation shows good qualitative agreement with ab-initio simulations of small molecules, while being computationally faster.  We applied the code for macromolecules and simulated the Coulomb explosion dynamics due to the fast ionization in six proteins with different physical properties. The trajectories of the ions are followed and projected onto a detector, where the particular pattern depends on the protein, providing a unique footprint. We utilize algorithms such as principal component analysis  and t-distributed stochastic neighbor embedding to classify the fragmentation pattern. The results show that the classification algorithms are able to separate the explosion patterns into distinct groups. We envision that this method could be used to provide additional class information, like particle mass or shape, in structural determination experiments using X-ray lasers.

Nationell ämneskategori
Atom- och molekylfysik och optik
Identifikatorer
urn:nbn:se:uu:diva-519565 (URN)
Projekt
In thesis
Forskningsfinansiär
Vetenskapsrådet, 2018-00740, 2019-03935, 2021-05988
Tillgänglig från: 2024-01-08 Skapad: 2024-01-08 Senast uppdaterad: 2024-01-09
Dawod, I., Cardoch, S., André, T., De Santis, E., E, J., Mancuso, A. P., . . . Timneanu, N.MolDStruct: modelling the dynamics and structure of matter exposed to ultrafast X-ray lasers with hybrid collisional-radiative/molecular dynamics.
Öppna denna publikation i ny flik eller fönster >>MolDStruct: modelling the dynamics and structure of matter exposed to ultrafast X-ray lasers with hybrid collisional-radiative/molecular dynamics
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(Engelska)Manuskript (preprint) (Övrigt vetenskapligt)
Abstract [en]

We describe a method to compute photon-matter interaction and atomic dynamics with X-ray lasers using a hybrid code based on classical molecular dynamics and collisional-radiative calculations. The forces between the atoms are dynamically computed based on changes to their electronic occupations and the free electron cloud created due to the irradiation of photons in the X-ray spectrum. The rapid transition from neutral solid matter to dense plasma phase allows the use of screened potentials, which reduces the number of non-bonded interactions required to compute. In combination with parallelization through domain decomposition, large-scale molecular dynamics and ionization induced by X-ray lasers can be followed. This method is applicable for large enough samples (solids, liquids, proteins, viruses, atomic clusters and crystals) that when exposed to an X-ray laser pulse turn into a plasma in the first few femtoseconds of the interaction. We show several examples of the applicability of the method and we quantify the sizes that the method is suitable for. For large systems, we investigate non-thermal heating and scattering of bulk water, which we compare to previous experiments. We simulate molecular dynamics of a protein crystal induced by an X-ray pump, X-ray probe scheme, and find good agreement of the damage dynamics with experiments. For single particle imaging, we simulate ultrafast dynamics of a methane cluster exposed to a femtosecond X-ray laser. In the context of coherent diffractive imaging we study the fragmentation as given by an X-ray pump X-ray probe setup to understand the evolution of radiation damage.

Nationell ämneskategori
Atom- och molekylfysik och optik
Identifikatorer
urn:nbn:se:uu:diva-519450 (URN)
Projekt
In thesis
Forskningsfinansiär
Vetenskapsrådet, 2018- 00740, 2019-03935
Tillgänglig från: 2024-01-08 Skapad: 2024-01-08 Senast uppdaterad: 2024-01-09
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