5 courses · 19 tutorials
IBM Quantum
Max Rossmannek, Julian Schuhmacher, Alexander Miessen, and Laurin Fischer, IBM Quantum
Free openHPI course on quantum simulation for chemistry and materials science, developed with IBM Quantum. Covers the second quantization, molecular Hamiltonians, VQE for molecular ground states, and Qiskit Nature.
QUANTUM COMPUTING
CertificateMIT xPRO / Isaac Chuang, William Oliver, Peter Shor, Aram Harrow
MIT xPRO's professional certificate program in quantum computing, taught by Isaac Chuang, William Oliver, Peter Shor, and Aram Harrow. A two-course program covering quantum computing fundamentals, algorithms for cybersecurity and chemistry, and the business implications of the technology.
IonQ
IonQ Researchers
IonQ's free 4-part lecture series on quantum programming. Covers quantum algorithms, circuits, programming with multiple SDKs, and quantum chemistry including VQE. Taught by IonQ researchers.
edX
Pramey Upadhyaya
The algorithms-and-software course closing Purdue University's Applied Quantum Computing series. Covers the quantum Fourier transform, search and Shor's algorithm, plus modern algorithms for optimization, simulation, chemistry, and machine learning, with hands-on cloud hardware access.
QUANTUM CHEMISTRY
Quantinuum
Quantinuum's InQuanto tutorial series for quantum chemistry simulation. 18+ tutorials from basic VQE to advanced molecular simulation of Fe4N2 on real Quantinuum hardware. Free to read; running the notebooks requires an InQuanto licence or trial.
A comprehensive guide to the Variational Quantum Eigensolver: ansatz design, optimizer selection, barren plateaus, and a complete H2 ground state calculation using Qiskit's Estimator primitive.
Reduce molecular simulation cost by selecting active orbitals in PennyLane. Combine active space selection with VQE for accurate molecular ground state energies.
Set up molecular Hamiltonians in OpenFermion, apply Jordan-Wigner mapping to convert fermionic operators to Pauli strings, and build a VQE circuit in Cirq.
Implement a simplified ADAPT-VQE algorithm in PennyLane. Build an operator pool, greedily select operators by gradient magnitude, grow the ansatz iteratively, and compare convergence against fixed UCCSD for the H2 molecule.
A practical overview of what quantum computers can actually do today and in the near future: chemistry simulation, optimisation, cryptography, and machine learning.
Build a complete quantum chemistry pipeline: encode the H2 Hamiltonian with OpenFermion, transform it to qubits via Jordan-Wigner, then find the ground state energy using VQE on Qiskit's statevector simulator.
How quantum computers simulate molecular systems: from second quantization and fermion-to-qubit mappings to VQE and the active space approximation.
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.
Build a complete VQE implementation for H2 using Cirq's parametric gates, OpenFermion for the qubit Hamiltonian, scipy for classical optimization, and the parameter shift rule for exact gradients.
Implement the Variational Quantum Eigensolver to find the ground state energy of a hydrogen molecule using PennyLane and gradient-based optimization.
Use Q# and the Microsoft.Quantum.Chemistry library to simulate molecular ground state energies, covering Jordan-Wigner encoding, Broombridge data, and phase estimation.
Simulate quantum systems by decomposing time evolution into circuits using first and second-order Trotterization. Practical implementation with Qiskit's PauliEvolutionGate and LieTrotter.
Full VQE for LiH using PennyLane's qchem module: molecular Hamiltonian, Hartree-Fock initial state, UCCSD ansatz, optimization, and potential energy surface scan.
Walk through a real VQE simulation in PennyLane: build the H2 Hamiltonian, construct a UCCSD ansatz, and converge to the ground state energy in under 50 iterations.
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.
How VQE works: the variational principle, ansatz design, classical optimizer loop, and a complete Qiskit implementation for finding the ground state of a simple Hamiltonian.
Set up and run a molecular ground state energy calculation in Qiskit Nature: driver setup, active space selection, Jordan-Wigner mapping, and VQE optimization.
How to implement the Variational Quantum Eigensolver (VQE) using tket's parameterized circuits and scipy optimization.
Build and manipulate Hamiltonians efficiently using Qiskit's SparsePauliOp class for variational algorithms and quantum chemistry simulations.