Quantum Chemistry Simulation on Quantum Computers

Quantum computation was proposed initially partly to simulate the physical universe because of the likeness of the nature and quantum systems. Some experimental simulations of Hawking radiation or Kibble-Zurek mechanisms were carried out in condensed matter systems, but they are simply too expensive to carry out. However, some scientists performed simulations on molecular systems using a quantum computer with an array of superconducting qubits. They performed the electronic structure calculation, as reported in “Scalable Quantum Simulation of Molecular Energies,” published in Physical Review X. Later, Google’s Quantum AI Team, Microsoft’s QuArC Team, and Caltech reports their work on simulating electronic structure using a quantum computer, that reduces running time but increases accuracies. Their work was reported in “Low-Depth Quantum Simulation of Materials,” also published in Physical Review X. The same team, adding a Harvard’s group, further studied the application of these molecular systems lined up as a linear array to design algorithms in quantum computers. It is reported in “Quantum Simulation of Electronic Structure with Linear Depth and Connectivity,” published inĀ Physical Review Letters.

These people published an open-source software package, a Python library, called OpenFermion. It facilitates simulation of quantum algorithms in fermionic systems.

For a completeness, a few years ago, another group of scientists published a Python package, QuTiP, that helps simulating the open quantum systems.

Continue reading “Quantum Chemistry Simulation on Quantum Computers”

Create a free website or blog at WordPress.com.

Up ↑