What is a good text/reference on Gaussian LOCC (GLOCC) ?

Can someone refer to me a good reference from where GLOCC can be understood?

05 June 2017 2,436 2 View

Is there a way to produce entangled qutrits/qudits by using NMR?

Is there anything similar to parametric down conversion in NMR?(I know, NMR is an ensemble QC. But, how can I entangle a qutrit or qudit using it?)

03 April 2016 2,142 1 View

How to add missing citation?

Dear colleagues, I have found that many authors have a concern regarding their missing citation in RG because often citation in RG is lower than google scholars. I also missed some citation...

26 February 2021 928 6 View

Centrality measures computation in Biblioshiny/ Vosviewer?

26 February 2021 7,279 2 View

I am looking for a simple software program to model 3D chemical bonds. The purpose is to generate high-quality graphical abstracts. Any suggestion?

Hello everyone: I am looking for a simple software program to model chemical bonds. The purpose is to generate a high-quality graphical abstract for a top leading journal in the field of...

23 February 2021 8,012 3 View

How to combine two geometries in LAMMPS ?

I am trying to simulate contact angle of water on a quartz slab using LAMMPS. I have created and equilibriated the quartz slab and the water cluster separately. Now I want to create a composite...

17 February 2021 5,884 2 View

How to mesh complex geometry?

I have been trying to mesh some complex geometry and have been having issues. I have attached images of the geometry in question. This structure is very large in size but has some comparatively...

05 February 2021 6,379 5 View

Please recommend me the proper steps (blocking method) to generate Hexahedral mesh of the following geometry inside ICEM-CFD?

I am facing an issue while blocking for the geometry mentioned in the image. After blocking it ends with a triangular block due to its shape. How to create a hexahedral mesh for this geometry in...

02 February 2021 888 1 View

How to find nature of extremum of a functional? what are the mathematical prerequisites to understand it?

For a function, usually sign of second derivative (and if it is zero, even/odd index of higher order derivative whose numerical value is zero) is enough to detect whether the extreme point is...

25 January 2021 7,703 3 View

Best way to write a first review ?

I'm writing my first chemical review . I've already made all abstracts of the various papers I want include inside but now I'm trying to connect all these abstracts and it's really very difficult...

25 January 2021 4,915 3 View

Frequency calculation with TDDFT???

Hi, I have been trying to calculate the frequency vibrations of the excited state S1 of an organic molecule (24 atoms). The geometry optimisation of the excited state converged smoothly howerver...

22 January 2021 1,463 3 View

Doubt in DFT geometry preparation?

Hi all, I am trying to perform some ab inito DFT calculations using cp2k code. I have a unit cell of 120 atoms and would like to know how to refine or reduce the number of atoms in the unit cell...

20 January 2021 6,024 3 View