Zobrazeno 1 - 10
of 186
pro vyhledávání: '"Holzmann, Nicole"'
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:
Ivanov, Aleksei V., Sünderhauf, Christoph, Holzmann, Nicole, Ellaby, Tom, Kerber, Rachel N., Jones, Glenn, Camps, Joan
Publikováno v:
Phys. Rev. Research 5 (2023) 013200
In this work, we present a quantum algorithm for ground-state energy calculations of periodic solids on error-corrected quantum computers. The algorithm is based on the sparse qubitization approach in second quantization and developed for Bloch and W
Externí odkaz:
http://arxiv.org/abs/2210.02403
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:
Di Gioacchino, Michael ∗, Ricci, Maria Antonietta, Imberti, Silvia, Holzmann, Nicole, Bruni, Fabio
Publikováno v:
In Journal of Molecular Liquids 1 March 2020 301
Autor:
Holzmann, Nicole, Bernasconi, Leonardo, Callaghan, Kathrin M., Bisby, Roger H., Parker, Anthony W.
Publikováno v:
In Chemical Physics Letters 16 January 2018 692:146-151
Publikováno v:
In Coordination Chemistry Reviews 1 August 2017 344:163-204
Publikováno v:
In Bioorganic & Medicinal Chemistry 15 October 2016 24(20):4920-4927
Publikováno v:
In Journal of Organometallic Chemistry 1 September 2015 792:139-148