Acín dal Maschio, AntonioZambrano, LeonardoParella Dilmé, Teodor2023-11-142023-11-142023-07https://hdl.handle.net/2445/203638Màster Oficial de Ciència i Tecnologia Quàntiques / Quantum Science and Technology, Facultat de Física, Universitat de Barcelona. Curs: 2022-2023. Tutors: Antonio Acín, Leonardo ZambranoIn ab-initio electronic structure simulations, fermion-to-qubit mappings represent the initial encoding step of the fermionic problem into qubits. This work introduces a novel method for deriving optimized mappings that significantly reduce the entanglement requirements for prepared states of interest. The presence of single and double electronic excitations drives the optimization of the mapping, greatly simplifying correlations for target states in the qubit space. Additionally, the code implementation for designing arbitrary ternary tree mappings in the Tequila Python library is provided. Enhanced simulation accuracy is validated on the optimized mappings both in quantum computing, using the variational quantum eigensolver, and in tensor networks by employing density matrix renormalization group on a matrix product state.32 p.application/pdfengcc-by-nc-nd (c) Parella, 2023http://creativecommons.org/licenses/by-nc-nd/3.0/es/Ordinadors quànticsEstructura electrònicaQbitTreballs de fi de màsterQuantum computersElectronic structureQubitMaster's thesisinfo:eu-repo/semantics/masterThesisinfo:eu-repo/semantics/openAccess