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QUANTUM-COMPUTING STUDY OF THE ELECTRONIC STRUCTURE OF CRYSTALS: THE CASE STUDY OF SI
Ďuriška, Michal; Miháliková, Ivana; Friák, Martin
2024 - English
Quantum computing is newly emerging information-processing technology which is foreseen to be exponentially faster than classical supercomputers. Current quantum processors are nevertheless very limited in their availability and performance and many important software tools for them do not exist yet. Therefore, various systems are studied by simulating the run of quantum computers. Building upon our previous experience with quantum computing of small molecular systems (see I. Mihalikova et al., Molecules 27 (2022) 597, and I. Mihalikova et al., Nanomaterials 2022, 12, 243), we have recently focused on computing electronic structure of periodic crystalline materials. Being inspired by the work of Cerasoli et al. (Phys. Chem. Chem. Phys., 2020, 22, 21816), we have used hybrid variational quantum eigensolver (VQE) algorithm, which combined classical and quantum information processing. Employing tight-binding type of crystal description, we present our results for crystalline diamond-structure silicon. In particular, we focus on the states along the lowest occupied band within the electronic structure of Si and compare the results with values obtained by classical means. While we demonstrate an excellence agreement between classical and quantum-computed results in most of our calculations, we further critically check the sensitivity of our results with respect to computational set-up in our quantum-computing study. A few results were obtained also using quantum processors provided by the IBM.
Keywords:
computation; Quantum computing; crystals; tight-binding method; quantum-mechanical calculations
Available at various institutes of the ASCR
QUANTUM-COMPUTING STUDY OF THE ELECTRONIC STRUCTURE OF CRYSTALS: THE CASE STUDY OF SI
Quantum computing is newly emerging information-processing technology which is foreseen to be exponentially faster than classical supercomputers. Current quantum processors are nevertheless very ...
Spánková deprivace u všeobecných sester
2024 -
Keywords:
spánková deprivace; všeobecná sestra; dotazník; kvalita spánku; poruchy spánku; směnný provoz
Available in the ZČU Library.
Spánková deprivace u všeobecných sester
Cocoa beans moisture content prediction using Machine Learning Model, based on the color image features
2024 -
Keywords:
kakaové boby; F-test; obsah vlhkosti; barevné vlastnosti; RReliefF; regrese; strojové učení
Available in the ZČU Library.
Cocoa beans moisture content prediction using Machine Learning Model, based on the color image features
3D Multi-Criteria Design Generation and Optimization of an Engine Mount for an Unmanned Air Vehicle Using a Conditional Variational Autoencoder
2024 -
Keywords:
3D generace; multikriteriální; optimalizace; držák motoru; podmíněný variační autokodér; simulace založené na hodnocení
Available in the ZČU Library.
3D Multi-Criteria Design Generation and Optimization of an Engine Mount for an Unmanned Air Vehicle Using a Conditional Variational Autoencoder
A Novel Silhouette Extraction Method for Binary Images Based on the Wall-Follower Algorithm
2024 -
Keywords:
obrysové trasování; CAD; extrakce siluety; nástěnný sledovací algoritmus; analýza obrazu; sledování pixelů; technický výkres
Available in the ZČU Library.
A Novel Silhouette Extraction Method for Binary Images Based on the Wall-Follower Algorithm
Adapting Virtual Reality Training Applications by Dynamically Adjusting Visual Aspects
2024 -
Keywords:
trénink virtuální reality; adaptivní trénink; vizuální vedení; interakce člověk-počítač
Available in the ZČU Library.
Adapting Virtual Reality Training Applications by Dynamically Adjusting Visual Aspects
AI-based Density Recognition
2024 -
Keywords:
umělá inteligence; počítačové vidění; rozpoznávání hustoty
Available in the ZČU Library.
AI-based Density Recognition
Real-Size Experience for Virtual Try-On
2024 -
Keywords:
virtuální vyzkoušení; kalibrace kamery; rozšířená realita
Available in the ZČU Library.
Real-Size Experience for Virtual Try-On
Brain Computer Interfacing with a Virtual Environment
2024 -
Keywords:
mozkové počítačové rozhraní; CAVE; virtuální realita; automatické virtuální prostředí Cave
Available in the ZČU Library.
Brain Computer Interfacing with a Virtual Environment
Algorithmic thinking and its development in primary school
2024 -
Keywords:
Rámcový vzdělávací program; RVP; revize Informatiky; rozvoj algoritmického myšlení; ŠVP ZV
Available in the ZČU Library.
Algorithmic thinking and its development in primary school
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