How to calculate the acceleration/velocity of different molecules in an MD Simulation?

Hi, If I am performing an MD Simulation in which the two groups/molecules are moving in a direction on applying a force on the system, how would I calculate the velocities/acceleration of the two?...

08 February 2021 9,525 4 View

Why the difference between degrees of nonclassicality of the input states is required for nonzero entanglement in the output state of a beam splitter?

By considering two single-mode Gaussian states at the input of a beam splitter, it is seen that the entanglement of the output two-mode Gaussian state depends on the difference between the degrees...

22 January 2021 3,490 3 View

Model reduction using Machine Learning techniques (...see description) ?

If we have a SISO dynamical system, for reduced order approximation using ML algs, do we need to take (frequency/ time domain) samples of Impulse response/TF Then to approximate this input/output...

08 January 2021 7,720 3 View

Is there anyone who can help me parameterizing theligand molecule with AMOEBA polarizing force field for using it in AMBER?

I am able to generate the parameter topology files for protein and water box using TINKER but am not able to generate these for my ligand as it is finding no atom types and atom class in TINKER....

17 December 2020 4,309 1 View

Can anyone please help me using polarizable force fieild in Amber18?

I am using force field ff02 and water model POL3. I am having difficulty in minimizing the system. In the Minimization output file after 100 steps of minimization EPOLAR = ************ EEL =...

17 December 2020 334 3 View

Future of construction systems?

Do you think that the automatized 3D-printing technique will replace the traditional building method?

10 December 2020 2,052 12 View

Gate All Around vs Continuous FinFET Thermals?

Can anyone help me know/compare the thermal challenges and limitations that gate all around have over normal continuous Fin devices. I understand that current density are bound to increase but...

20 December 2019 9,687 5 View

Why did the indirect optical energy gap decrease with increasing the molecular weights of pure PEG and with the adding of 1wt.% GO?

Both the allowed and forbidden indirect transition optical energy gap values for three polymers of PEG and its nanocomposite films with GO: PEG4000, PEG8000 , PEG20000 and PEG/1wt% GO (prepared by...

31 January 2019 318 3 View

Under any temperature and pressure can be prepare a homogeneous solid solution from the Al-Ni-Cr alloy?

14 January 2019 7,623 9 View

Cyclic loading in ANSYS ?

How can the Cyclic and repeated loading be represented in the nonlinear finite element program(ANSYS software)?

31 December 2018 1,705 7 View

How two melting peaks in DSC of polypropylene can be merged into one crystallization peak?

The figure shows DSC cooling (blue) and 2nd heating (green) curves (step: 10 K/min) for a commercial sample supplied as Atactic Polypropylene (APP). The heating curve illustrates two major...

03 March 2021 5,857 3 View

Is There Any Feasible Method To Test Fluorescent Compounds Other Than Fluorescence Spectrometers ??

Is There Any Feasible Method To Test The Efficiency Of Fluorescent Compounds Other Than UV Spectrometers ? Suggestions Would Be Appreciated !

02 March 2021 5,785 3 View

Issues with Permeabilization during Flow Cytometry?

Hello Everyone. Currently I am working to characterize macrophages in the myocardium after ischemia-reperfusion injury in rats. Due to the low total cell number isolated from rat hearts I can...

01 March 2021 3,867 3 View

What do I do with DLS peaks that are from the buffer?

I'm looking at the aggregation of my protein sample using DLS. Unfortunately, my buffer (20mM HEPES) also results in a set of peaks. These are at approximately 1 and 1000 d.nm. The lowest peak...

01 March 2021 9,015 2 View

1 nm thick MgO thin-film to be deposited on Si wafer using thermal evaporation. What will be the optimum deposition conditions?

Favourable conditions of base pressure, rate of deposition. Also, by which characterisation technique to be used to verify the thickness of the deposited film.

28 February 2021 3,640 3 View

Is there a deep reason for using the squared modulus of the wave function as the probability density of the existence of the particle?

I think we were all surprised at the first time we got to know quantum mechanics that the squared modulus of the wave function is the probability density of the existence of the particle? The role...

28 February 2021 6,282 9 View

Which one carries more value? A research paper in a Scopus Indexed conference proceedings or the same paper in a Journal without Scopus indexing?

I am looking for the suggestion among which one to pick from the above two categories for a research work.

27 February 2021 10,025 1 View

Why initial concentration of Pb not the same as calculated one when testing using AAS?

I am currently doing research on the adsorption of heavy metal using magnetic reduce graphene oxide. I use AAS to determine the concentration of the heavy metal. I prepare the Pb solution with...

26 February 2021 9,580 4 View

Which indexation is better Scopus or Web of Science?

Both are very repetitive indexing agencies.

26 February 2021 9,455 4 View

What information can be had from raman at higher wavenumber?

i have recorded raman spectra of strontium oxide thin film. the spectra were recorded in the range 400 to 4000 cm-1. i have reference to peaks upto 1000cm-1. but i couldn't find literature for...

26 February 2021 2,499 1 View