Quantum computers present a fundamentally distinct approach to conducting molecular simulations, overcoming the practical hurdles encountered when simulating chemical systems on classical computers. This revolutionary technology finds extensive applications in diverse fields such as chemistry, physics, biology, and material science. This video provides a concise introduction, offering insights into the key steps from the perspective of a software engineer.
References.
https://pyscf.org/
https://learning.quantum.ibm.com/tutorial/variational-quantum-eigensolver
https://qiskit.org/ecosystem/nature/index.html
https://qiskit.org/documentation/stable/0.25/tutorials/chemistry/
https://docs.quantum.ibm.com/api/qiskit/0.31/qiskit.chemistry.drivers.PySCFDriver
https://qiskit.org/ecosystem/nature/tutorials/03_ground_state_solvers.html
https://qiskit.org/ecosystem/nature/tutorials/06_qubit_mappers.html
