Anyone give me a Bismuthene monolayer (2D hexagonal structure) with two Bi atoms in the primitive unit cell cif file?

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Which is the best optimization techniques to optimize parameters for heart disease data set?

Doing research in data mining. i have chosen classification and prediction. I have opted medical data sets like heart disease dataset from UCI machine learning repository. Completed imputation...

29 August 2020 7,746 5 View

What does the frontal area of an automobile(four wheeler) has to do with its body being aerodynamic?

The bionic car which is a concept car is said have an good aerodynamic shape. It having a larger frontal area is cited as a reason.

06 April 2017 7,713 9 View

Can anybody suggest me a list of wireless card drivers that support OCB(Outside the context of a basic station set) mode ?

I have tried out the ath9k driver with an appropriate atheros card. But while setting the card to ocb mode I recieved an error.These are the commands I used. sudo iw reg set DEsudo ip link set...

17 October 2016 7,219 3 View

Is it possible to remove proteins from the outer membrane surface of red blood cells?

I would like to study certain protein interactions, so I want to remove proteins from red blood cell (RBC) membranes, then check the interaction of my molecule of interest with the RBCs.

28 January 2013 1,365 2 View

MDCK cell line -problems in passaging?

MDCK is good morphology condtion in DMEM when passaged in our lab shows slightly different and bigger in DMEM prepared by us. Its difficult to find out why. We don't use CO2 during incubation...

30 September 2012 2,767 17 View

How to analyze a particular region of my simulation box in GROMACS?

Hi, I am using GROMACS 5.1.4 to simulate water in contact with a surface. I am only interested to calculate some properties of water near the surface. Let's say at a distance of x nm from the...

03 March 2021 9,989 2 View

Why almost every element would be metallized in sufficiently high pressure and low temperature?

(This statement is from wikipedia, BTW). What is so special about metallic bond that is limiting high-P low-T state of a matter (as long as individual atoms exist, not white dwarf of neutron star...

02 March 2021 3,309 2 View

How to formulate Energy minimization in Molecular dynamics simulation for alloys using meam potential?

during MD simulation, the atoms are not moving as per required. The problem (as per my observation) lies in energy minimization technique. upon application of tensile strain in x or y direction,...

22 February 2021 380 5 View

Magnetismic Gravity in the universe?

MAGNETISMIC GRAVITY What is magnetism? Something magnetic has a + and - charge. If 2 + or - are pushed if + and - are pulled. But what is the main reason for this? Why does magnetism have a pull...

21 February 2021 9,538 3 View

Has anyone succeeded in capturing uranium atoms in a fullerene structure?

Additional questions are: What are the encapsulating atoms? How difficult was the process and what rates were achieved? What factors most seriously affect the economics?

20 February 2021 3,134 5 View

How to get the vector of a specific vibration mode in phonon dispersion?

For example, I have this phonon dispersion(Fig. 1), and now I would like get vector of atoms which describes TA1 in P. I know v_sim can show vibrational animation of specific mode, but I do not...

20 February 2021 4,332 4 View

What are the potential shell well and atomic solvation parameters for the boron atom?

I have a protein-ligand docking project. The ligand contains boron atoms that are not detected by Autodock software. To solve this problem, it is necessary to introduce the boron atom to...

19 February 2021 1,236 1 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

Rdf of atoms from a COM or point in lammps or VMD?

Hello all, as I understand there isn't any straight way to get an rdf of atoms from the center of mass or a coordinate of specific atoms in lammps. I wonder if anyone know any trick or way to get...

16 February 2021 2,517 2 View

What is error #2070 in gaussian.how we do resolve it?

We want to ONIOM calculation in gaussian16. However, gaussian doesn't work. What should we do? Atom 15 layer R linked to atom 85 is also bonded to atom 161 in layer M bad...

15 February 2021 7,766 3 View