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pro vyhledávání: '"Izsak, Robert"'
Autor:
Ivanov, Aleksei V., Patterson, Andrew, Bothe, Marius, Sünderhauf, Christoph, Berntson, Bjorn K., Mortensen, Jens Jørgen, Kuisma, Mikael, Campbell, Earl, Izsák, Róbert
Quantum simulation of materials is a promising application area of quantum computers. In order to realize this promise, finding ways to reduce quantum resources while maintaining the accuracy of results will be necessary. In electronic structure calc
Externí odkaz:
http://arxiv.org/abs/2408.03159
Autor:
Georges, Timothy N., Bothe, Marius, Sünderhauf, Christoph, Berntson, Bjorn K., Izsák, Róbert, Ivanov, Aleksei V.
Quantum computation of the energy of molecules and materials is one of the most promising applications of fault-tolerant quantum computers. However, practical applications require algorithms with reduced resource requirements. Previous work has mainl
Externí odkaz:
http://arxiv.org/abs/2408.03145
In this educational paper, we will discuss calculations on the hydrogen molecule both on classical and quantum computers. In the former case, we will discuss the calculation of molecular integrals that can then be used to calculate potential energy c
Externí odkaz:
http://arxiv.org/abs/2307.04290
Publikováno v:
PRX Quantum 4, 040341 (2023)
Quantum phase estimation (QPE) is a key quantum algorithm, which has been widely studied as a method to perform chemistry and solid-state calculations on future fault-tolerant quantum computers. Recently, several authors have proposed statistical alt
Externí odkaz:
http://arxiv.org/abs/2304.05126
In this perspective, the various measures of electron correlation used in wavefunction theory, density functional theory and quantum information theory are briefly reviewed. We then focus on a more traditional metric based on dominant weights in the
Externí odkaz:
http://arxiv.org/abs/2301.12807
Autor:
Blunt, Nick S., Camps, Joan, Crawford, Ophelia, Izsák, Róbert, Leontica, Sebastian, Mirani, Arjun, Moylett, Alexandra E., Scivier, Sam A., Sünderhauf, Christoph, Schopf, Patrick, Taylor, Jacob M., Holzmann, Nicole
Computational chemistry is an essential tool in the pharmaceutical industry. Quantum computing is a fast evolving technology that promises to completely shift the computational capabilities in many areas of chemical research by bringing into reach cu
Externí odkaz:
http://arxiv.org/abs/2206.00551
Autor:
Izsak, Robert, Riplinger, Christoph, Blunt, Nick S., de Souza, Bernardo, Holzmann, Nicole, Crawford, Ophelia, Camps, Joan, Neese, Frank, Schopf, Patrick
Quantum computers are special purpose machines that are expected to be particularly useful in simulating strongly correlated chemical systems. The quantum computer excels at treating a moderate number of orbitals within an active space in a fully qua
Externí odkaz:
http://arxiv.org/abs/2202.04460
Autor:
Izsak, Robert
The first part of this thesis deals with some general aspects of hydrogen transfer reactions. Based on the idea of similarity between localized orbitals of functional groups in different molecules, an attempt is made to reflect this transferability
Externí odkaz:
http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.584770
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Akademický článek
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