How can I calculate the rdf of water molecules around 'Na' ions that are closest(adsorbed) to the nanoparticle(solute)?

Hi, I want to calculate the radial distribution function for water molecules around the Na+ ions adsorbed on the surface of a spherical nanoparticle using the gromacs trajectory dynamically? For...

28 February 2021 5,650 1 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

How to generate AA6061 alloy or any aluminium alloy crystal in material studio?

I need to carry out molecular dynamics simulation on Aluminium alloy. For this i need the crystal structure that which could be further replicated to form a structure.

22 February 2021 1,410 1 View

Hi..how to isolate crude HDL (all subfractions) from human serum by size exclusion chromatography?

I would like to know about isolation of crude HDL from serum by SEC. Is it possible to perform with a serum sample volume of

19 February 2021 5,576 2 View

Which is the best wavelength to study aerosol optical depth(AOD) related to climate reseach,which criteria must be adopted in choosing the wavelengh?

We are doing a study on impact of aerosol on precipitation. Which satellite data and which wavelength will be the best. or can some one suggest a criteria to be adopted to choose an instrument...

12 February 2021 6,324 3 View

How to incorporate Monte Carlo simulation in for a real trading data?

Hello, My area of research is to valuate Exchange option (Margrabe option). I am looking for Monte Carlo simulation technique that can be applied to some real trading data. I have evaluated them...

05 February 2021 1,605 4 View

How do we calculate 95% confidence intervals for RMSE?

I have two datasets (measured and modelled). I want to calculate 95% confidence intervals for RMSE. Cany anyone please help me with this? Thank you in advance

04 February 2021 5,439 6 View

Queries regarding the rain flow counting algorithm?

02 February 2021 9,790 2 View

How do I analyse a Photoluminescence Spectrum ?

I have a few questions related to PL (images attached for same material by 2 methods), It would be great to get some help. 1. What is the physical meaning of highly intense PL? Does this mean...

02 February 2021 1,791 3 View

How to choose the electrolyte for (electrochemical impedance spectroscopy) EIS ?

Hi, I am working on a multi cationic material that has Li in it. I wish to measure the conductivity of my sample. We have a 3 electrode system with Ag/AgCl as a ref, platinum, and glassy carbon...

29 January 2021 405 2 View

What is your perception on using visual analysis or quantitative approaches to evaluate data from single-case research designs (n of 1 trials)?

Results of single-case research designs (i.e., n-of-1 trials) are often evaluated by visually inspecting the time-series graph and computing quantitative indices. A question our research team is...

03 March 2021 687 1 View

Resistor definition in Piezoelectric bimorph with ANSYS workbench

Hello, good day! I am trying to simulate similar bimorph piezoelectric harvester with below commands. However, the output power doesn't change with resistor value. Please help to find the reason. ET,10,CIRCU94,0 !SET UP RESISTOR R,1,100000 !RESISTANCE VALUE TYPE,10 !SET ELEMENT TYPE E,1,2 !CREATE RESISTOR BETWEEN NODES 1 AND 2 Thanks in advance Regards,

02 March 2021 0 0 View

Is there any available free access High Performance Computing (HPC) servers with GROMACS?

I would like to run a Molecular Dynamics (MD) simulation using GROMACS in a high-performance computing server. Is there any freely available one out there? If yes, please do not fail to make...

16 February 2021 2,593 3 View

Are cloud points able to identify tree species?

Hello Dears My goal is to classify dense forest tree species using drone images. Is it possible to classify dense cloud points? If yes, in what way and in what software? Thankful

15 February 2021 3,475 3 View

Can I use the CHARMM GUI input files for Gromacs in HPC?

Good day everyone! I am a Biochemistry undergraduate in the Philippines and to be very honest, we have no background in bioinformatics since we really focused on wet lab techniques + theory. Due...

15 February 2021 3,422 4 View

Infinite order of Laguerre?

If Lmn(x) is the Laguerre polynomial of order m and degree n Is there a means of computing Lmn(x) for 1) m goes to infinity 2) n goes to infinity

08 February 2021 6,320 4 View

What is the nature of this algorithm?

What is the kind of this algorithm; Input : square matrix Objective function = minimization of total movements cost of matrix based on permutative manner Constrains : Lower and upper bound of the...

04 February 2021 2,050 3 View

Do there exist stand-alone permanently in-ground soil-moisture sensors with an installed GSM module, for outdoor use?

Am searching for a stand-alone permanently in-ground soil-moisture sensor with an installed GSM module, for outdoor use. The idea is for the sensor to send a moisture reading via a cellphone text...

04 February 2021 2,047 4 View

Do have new reseach that you wish to publish a chapter on for free: Areas now Blockchain and cooperative computing?

03 February 2021 4,497 6 View

Import macro code In Ansys Mechanical APDL

How To Import macro code In Ansys Mechanical APDL

01 February 2021 0 0 View