Tag: chemistry

9 Quantum Chemistry and Quantum Computing 2018-04-24T05:47:24.780

8 Quantum chemistry: references 2018-04-24T11:54:45.100

7 Number of Qubits Required for Simulation of Caffeine and Penicillin Molecules 2019-08-10T19:16:52.440

7 Impact of ordering Hamiltonian terms for Trotterization 2020-09-01T16:15:26.993

6 Defining qubit operator from scratch 2019-06-03T08:03:23.507

5 What set of quantum logical operations can one use to benchmark spin Hamiltonians? 2018-04-08T20:53:56.737

5 Developing quantum circuits for specific quantum chemistry configurations 2019-10-17T14:20:24.183

4 Electronic structure calculations and the Ising model: practical? 2018-11-04T14:18:40.090

4 Do we know anything about the computational complexity of the exchange-correlation functional? 2019-10-17T03:30:55.553

4 What are some current applications of Quantum Computing in drug discovery? Are there any test examples of this? 2020-08-31T02:44:00.553

3 Spin precession using a laser 2019-02-03T18:37:40.787

3 Rabi oscillations with different energy differences 2019-02-05T21:21:06.077

3 Can one make NV centred type qubits from analogus materials in the periodic table? 2019-02-18T10:43:03.727

3 How to apply unitary coupled cluster to a spin problem? 2019-02-28T14:59:10.767

3 Primer for learning about quantum circuits simulating systems 2019-06-08T19:32:16.230

3 Where can I get circuits of interest to quantum chemistry to try and simplify? 2020-10-14T04:35:10.950

3 No. of bits in 160 qubits computer 2021-01-24T20:38:40.657

2 Hamiltonian of the valence electron of Yb+ ion 2019-02-05T21:03:03.873

2 What are the rules that map the second-quantized fermionic Hamiltonian into spin-form in OpenFermion? 2019-03-28T07:30:53.200

2 Modifying Qiskit Hamiltonian 2020-03-03T22:51:52.370

2 VQE jobs do not appear in queue 2020-07-20T12:51:59.303

2 How is the Hartree accuracy calculated between the exact and VQE results? 2020-09-27T15:11:08.570

2 Why VQE gives an incorrect ground state energy for a chain of 4 hydrogen atoms? 2020-10-06T17:58:47.210

2 How to improve accuracy of ground energy values from a VQE 2021-01-13T16:15:18.507

2 Simulation of a helium molecule using Qskit 2021-01-30T13:48:49.340

2 Calculating energy function with 1&2-RDM (reduced density matrix) in Qiskit 2021-02-01T15:40:42.020

1 Readout using an NMR spectrum 2020-03-20T21:37:52.747

1 Is there a connection between the definitions of one- and two-particle reduced density matrices? 2020-12-14T08:35:09.213

0 What is the convention of indices for the one and two-body integrals in qiskit 2020-09-18T00:56:01.710