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

Student writing his own Learning Outcomes - is this the way forward?

'Students just dont want to study; they are here to waste time!' I have heard this phrase many times; so are the students solely to be blamed? We will find many students who just dont seem to...

04 February 2021 8,546 22 View

What if we go for one single global currency?

What if we go for one single global currency? than every country has its own currency. Currency exchange commission etc. (Advantages/Disadvantages)

04 February 2021 8,937 3 View

Conflict resolution at socio-economic disparities?

Conflict resolution at socio-economic disparities? Two-way honest approach driving through varying characterized bi-parental upbringing, that further leads societal interactions into one to one,...

14 January 2021 7,589 1 View

Socioeconomic loss vs gain?

Considering the majority of the population, as if, they do not know as to what is their strength. This perhaps is due to their considerably lesser exposure to various possibilities, as a result...

14 January 2021 8,720 2 View

Data misrepresentation and Ignorance of socio-economic factors?

Do you think the majority of developing, underdeveloped, and even the developed countries lack in capturing the finer elements of behavioral data generated at various interactive and reactive...

13 January 2021 3,241 2 View

Is recycling a challenge to the governments of developing countries?

Is recycling a challenge to the governments of developing countries? A strong will for more serious aggressively organized recycling initiatives, embedded with strict regulations supported through...

12 January 2021 510 13 View

Variant or strain, what exactly happened to the corona virus ?

The new, more contagious variant of the virus that causes COVID-19 which initially detected in the U.K. and has now been spotted in many of the country. While some have referred to this as a new...

11 January 2021 8,810 5 View

The hospitals reported rise in ICU admissions of young COVID patients - Is the new strain of COVID to be blamed?

05 January 2021 3,141 12 View

What are those FACTORS that strongly suggest that the same workers come from India to GCC have played noticeable role, but why not in India?

Research is needed to identify the factors responsible for not so well utilized workforce for the development in India when the same workforce have played a role to obtain strikingly visible...

04 January 2021 8,548 2 View

How to polymerize TEOS?

I want to polymerize TEOS on a surface. I know that NH4OH is a preferred catalyst and an alcoholic solvent should be used .But I can not find certain amounts of each material to use. Does any one...

02 March 2021 1,404 6 View

How to quantify carbon deposition on CuZnAl catalyst?

Dear All, I want to quantify carbon deposition on the surface of the CuZnAl catalyst. I have tried thermogravimetric analysis, but I've got weight gain as the active Cu- get oxidised. Does anyone...

01 March 2021 1,907 3 View

Why Trivalent chromium start precipitating above PH 5 ? Moreover discuss difference between adsorption of chromium and precipitation of chromium ?

I am a student of MS Environmental Engineering and started my research phase. I am working on metal removal ( chromium iii ) by using activated carbon prepared from the agricultural feedstock. So...

01 March 2021 5,475 2 View

How can I assign a velocity along one direction to CO2 molecules in a molecular dynamics simulation using GROMACS?

Dear all, I am trying to perform a MD simulation about the interaction between CO2 and a polymer. I create my model, solvate it and perform the NVT and NPT equilibration. Now I am not able to...

26 February 2021 10,014 3 View

Can anyone share his experience regards Smoothing in origin?

I am working on TiO2 composite material and the results of XRD have a lot of small/junk peaks and while I apply a smooth filter in Origin then the other characteristics peaks disappear so anyone...

26 February 2021 8,183 3 View

CGA 300 Regulator for CO2 cylinder?

Has anyone ever tried to deliver CO2 with a CGA 300 regulator? I know that a CGA 320 regulator is standard for CO2. The issue is that I currently do not have any free CGA 320 regulators. I also...

25 February 2021 3,292 3 View

What are the methods used for CNT..?

Respected Professor's i hope you are doing well and happy. i need some information about carbon Nanotubes. before blending the CNT with the matrix the CNT has been introducing in some treatments....

24 February 2021 5,383 5 View

How to clean up TEM grid with plasma cleaner?

I need to clean the hydrocarbon contamination on the carbon substrate of TEM grid. However, I heard that substrate could be broken by the powerful plasma. My substrate is pure carbon, with ~3nm,...

23 February 2021 3,262 5 View

What are some underexplored theories and concepts in Activated Carbon as A Water Filter?

Hi, me and my team mates are currently planning to pursue the topic of Activated Carbon from Coconut as a Water Filter. And we would like to ask for your suggestions and knowledge on what specific...

22 February 2021 6,569 3 View

What are some underexplored theories and concepts in Activated Carbon as A Water Filter?

Hi, me and my team mates are currently planning to pursue the topic of Activated Carbon from Coconut as a Water Filter. And we would like to ask for your suggestions and knowledge on what specific...

21 February 2021 7,561 4 View