Questions tagged [quantum-computing]

For questions about how quantum computing algorithms/technology can be applied to problems of materials modeling.

Filter by
Sorted by
Tagged with
5
votes
1answer
119 views

How to solve time-dependent Schrodinger equation and plot trajectory on Bloch sphere?

Let's say I have a $2 \times 2$ Hamiltonian that I am solving using the time-dependent Schrodinger equation: $$ i \frac{d}{dt} |{\Phi}\rangle=H|{\Phi}\rangle.\tag{1} $$ Consider a generic Hamiltonian $...
8
votes
1answer
122 views

The correlation energy from frozen natural orbtials (FNOs) using CCSD and MPBT(2)?

In other works and from the paper: Scaling Up Electronic Structure Calculations on Quantum Computers: The Frozen Natural Orbital Based Method of Increments. I have seen that the corrected CCSD ...
8
votes
1answer
120 views

Molecular orbitals and active space

During the same minute as asking this question, I also asked this at Quantum Computing SE. In Qiskit, each qubit corresponds to one spin orbital. For example, the $\ce{N2}$ molecule would have 10 ...
25
votes
1answer
4k views

How does the recent Chinese quantum supremacy claim compare with Google's?

Very recently, China claims achieving 'Quantum Supremacy' with the world's fastest Quantum Computer. Their computer was designed as a circuit of lasers, beam splitters and mirrors (see figure bellow) ...
20
votes
1answer
147 views

What class of materials are closest to realizing the tunable coupling Hamiltonian?

From a physics point of view, there is an effective (approximation to second-order coupling Jaynes-Cummings) Hamiltonian of the form [1] \begin{equation} H=\sum_j\omega_j(t)\sigma_j^z+\sum_{\langle i,...
20
votes
3answers
195 views

How can quantum computing accelerate materials modeling?

Materials modeling is very computationally intensive and first-principles simulation of a real system of reasonable size typically involves the use of classical supercomputers. How can quantum ...
-8
votes
2answers
226 views

How are quantum computers being used in drug design? [closed]

A biomaterials question this time. How are quantum computers being used in drug discovery and design?