course
Quantum Computing for Natural Sciences with IBM Quantum (openHPI)
Hasso Plattner Institute / IBM Quantum
Qiskit Nature
1 course · 3 tutorials
Courses
Free Tutorials
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- intermediate
- 40 min
VQE for H2 Molecule: Complete Worked Example in Qiskit
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.
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- advanced
- 18 min read
Molecular Simulation with Qiskit Nature
Set up and run a molecular ground state energy calculation in Qiskit Nature: driver setup, active space selection, Jordan-Wigner mapping, and VQE optimization.
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- advanced
- 70 minutes
Water Molecule Simulation with Qiskit Nature and VQE
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.