course
Quantum Computing for Natural Sciences with IBM Quantum (openHPI)
Hasso Plattner Institute / IBM Quantum
1 course · 3 tutorials
course
Hasso Plattner Institute / IBM Quantum
A complete walkthrough of VQE for the hydrogen molecule in Qiskit Nature, from PySCF driver and Jordan-Wigner mapping through UCCSD ansatz and classical optimization.
Set up and run a molecular ground state energy calculation in Qiskit Nature: driver setup, active space selection, Jordan-Wigner mapping, and VQE optimization.
A complete end-to-end VQE simulation of the water molecule using Qiskit Nature: PySCFDriver setup, active space reduction from 10 electrons in 7 orbitals to 4 electrons in 4 orbitals, Jordan-Wigner mapping, UCCSD ansatz, and comparison with Hartree-Fock and CCSD references.