Quantum Computing Seminar: SAOOVQE – Quantum Chemistry Meets Quantum Computing
Identifikátory výsledku
Kód výsledku v IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989100%3A27740%2F25%3A10260189" target="_blank" >RIV/61989100:27740/25:10260189 - isvavai.cz</a>
Výsledek na webu
<a href="https://events.it4i.cz/event/301/" target="_blank" >https://events.it4i.cz/event/301/</a>
DOI - Digital Object Identifier
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Alternativní jazyky
Jazyk výsledku
angličtina
Název v původním jazyce
Quantum Computing Seminar: SAOOVQE – Quantum Chemistry Meets Quantum Computing
Popis výsledku v původním jazyce
The development of hybrid quantum-classical algorithms has revolutionized quantum chemistry simulations, and in this talk, I will introduce State-Averaged Orbital-Optimized VQE (SA-OO-VQE)—an advanced variant of the Variational Quantum Eigensolver (VQE). This method simultaneously optimizes the molecular orbitals and wavefunction parameters, improving the accuracy of quantum simulations, especially for systems with near-degenerate or multi-reference states. SA-OO-VQE has shown promising results in capturing both ground and excited states across different molecular systems. A discussion of both theoretical and experimental aspects of this method will be provided, along with insights into how SA-OO-VQE can pave the way for future applications in quantum chemistry. I will also demonstrate practical examples of performing calculations using the SA-OO-VQE package available on PyPI, showcasing its application in quantum chemistry.
Název v anglickém jazyce
Quantum Computing Seminar: SAOOVQE – Quantum Chemistry Meets Quantum Computing
Popis výsledku anglicky
The development of hybrid quantum-classical algorithms has revolutionized quantum chemistry simulations, and in this talk, I will introduce State-Averaged Orbital-Optimized VQE (SA-OO-VQE)—an advanced variant of the Variational Quantum Eigensolver (VQE). This method simultaneously optimizes the molecular orbitals and wavefunction parameters, improving the accuracy of quantum simulations, especially for systems with near-degenerate or multi-reference states. SA-OO-VQE has shown promising results in capturing both ground and excited states across different molecular systems. A discussion of both theoretical and experimental aspects of this method will be provided, along with insights into how SA-OO-VQE can pave the way for future applications in quantum chemistry. I will also demonstrate practical examples of performing calculations using the SA-OO-VQE package available on PyPI, showcasing its application in quantum chemistry.
Klasifikace
Druh
O - Ostatní výsledky
CEP obor
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OECD FORD obor
10201 - Computer sciences, information science, bioinformathics (hardware development to be 2.2, social aspect to be 5.8)
Návaznosti výsledku
Projekt
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Návaznosti
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Ostatní
Rok uplatnění
2025
Kód důvěrnosti údajů
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů