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uhoh

00:36

Q: What is the physical description and E-k plots for Dirac Semimetal, Weyl Semimetal, and Magnetic Weyl Semimetal?

I've been trying to get a physical understanding of these three concepts, and any help would be appreciated. So far this is what I understand: Dirac semi-metals have relativistic quasi-particles (with or without mass), hence the linear dispersion. Weyl semi-metals are a special class of Dirac se...

3 hours later…

Nike Dattani

03:47

@uhoh Thanks for this! It's certainly very related!

Feeds

04:06

Q: Converting SMILES string into valid sub-strings

I have a SMILES string as follows. smi= 'CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl' Is there anyway that I convert this SMILES string into valid sub-strings which can be later processed in RDKIT. For instance smi_sub1= 'C1c1ccccc1Cl' smi_sub2= 'CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)' smi_sub3...

molecular-structure cheminformatics

5 hours later…

Feeds

08:41

Q: Is it possible to have an electron at rest?

Is it possible to have an electron at rest?Are quantum mechanical laws still be valid to such an electron if it is possible?

quantum-chemistry

5 hours later…

Nike Dattani

14:03

My question on QuantumComputing became an HNQ!!! HNQ are quite rare for that site!

Q: Would IBM's "compiler" turn my identity circuit into nothing?

If I were to create a circuit with the following gate: $$\tag{1}R_\phi = \begin{bmatrix} 1 & 0 \\ 0 & e^{i \phi} \end{bmatrix},$$ with $\phi$ specified to be equal to 0, then the gate that I am running is just the identity gate, and the circuit is to do nothing to the qubits. Would the IBM hardwa...

quantum-gate qiskit gate-synthesis ibm compiling

7 hours later…

Feeds

21:11

Q: Calculating self-diffusion coefficient from MSD programmatically

According to the Einstein relationship, the diffusion coefficient $D$ is $$\lim _{t\rightarrow \infty} \frac{\langle \left(\mathbf{r}(t)-\mathbf{r}(0) \right) ^2\rangle}{6t} = D$$ I have run a MD simulation with $N$ particles, and I have a file which has the location of each particle at every tim...