Can someone tell me that how to stimulate the Computational studies via online cloud or server remotely i.e. VASP, CASTEP etc.?

More Akshat Singla's questions See All

What is the meaning of 4 in the formula of TAN (Titrable Acid Number)?

Respected Researchers Kindly explain the below mentioned formula for the calculation of TAN. I am not able to understand 4 in this formula. Thanks in advance

05 March 2024 5,545 1 View

I would like to know viable methods for coating bipolar forceps used in laproscopic surgery ? ?

I'm researching a coating for laproscopic instruments, specifically bipolar forceps or prongs used for tissue cutting. The tool is made up of three parts: scissors fixed on a cylindrical bar and...

24 July 2023 593 0 View

How to calculate hydrogen bonds of a molecule in VMD using lammps trajectory file?

I have already used hydrogen bond plug-in but the graph is showing no hydrogen bonds in all frames.

04 April 2023 8,957 3 View

How to calculate total magnetic moment of a material when I have magnetic spin magnetic moment value for individual atom of that material ?

I have calculated the Spin Magnetic moment for all individual atoms of a 2-D material via simulation. Is the total magnetic moment of this 2-D material just the sum of all individual magnetic...

22 December 2022 6,439 9 View

Isolation of DNA from PLASMA and PCR amplification?

Isolating DNA from plasma using a column. DNA concentration on nanodrop is 5ng/ul. Unable to see any band in gel after 3-5 ul load no result in PCR amplification? what can be the reason?

17 November 2022 6,552 8 View

How to separate phenolic compounds from simple sugars from fruit sample using column chromatography?

Solid phase extraction column chromatography

04 August 2021 9,549 5 View

Likert scale and alpha value ?

I am planning to get a questionnaire filled from the students where they will rate their skills like communication skills, creative skills etc from 1 to 5. Can I call it Likert scale and can I use...

12 July 2021 2,235 2 View

What are the latest guidelines for the award of Ph.D degree and allocation criteria for the supervisors?

Pls share the latest guidelines of UGC for the award of Ph.D degree by any of the Govt or Private universities.

08 July 2021 1,882 3 View

Guidance on Publishing a Technical Design Report?

Can someone guide me through the entire procedure of publishing a technical design report based on Autonomous Underwater Vehicles? The domain of research is underwater robotics. The report can be...

21 June 2021 3,182 3 View

How to obtain reflective surface while polishing sample for ebsd ?

I am trying to polish magnesium alloy sample of 10×10×1 dimension for ebsd analysis. Initially I did grinding in 5 steps from 60 microns to 5 microns. While polishing, corners of the sample are...

23 March 2021 8,879 4 View

I have get this error when i calculated the geometrical optimization for prco3, it takes 12 hours until gives this message in the outputfile?

Fatal error in MPI_Allreduce: Other MPI error, error stack: MPI_Allreduce(1628)......: MPI_Allreduce(sbuf=000002459254A180, rbuf=000002459F86A140, count=4851, MPI_DOUBLE_COMPLEX, MPI_SUM,...

09 August 2024 7,615 1 View

VASP recognize my insulating alloy structure as not insulating?

Hi, Recently I was running VASP to calculate the spontaneous polarization of my alloy structure. I followed the instructions in this PDF wrote by Dr. Nabin (Nabaraj) Pokhrel, below is my INCAR...

07 August 2024 486 5 View

How do I replace a file with a more recent version of a paper that was uploaded to ResearchGate?

The paper in question is "Interpolation of Nitrogen Fertilizer Use in Canada from Fertilizer Use Surveys". This paper was very recently published by Agronomy (MDPI). Agronomy has, in the last day...

07 August 2024 9,934 3 View

How to solve g_mmpbsa error?

Program: g_mmpbsa, version 2024.1 Source file: extrn_apbs.cxx (line 152) Fatal error: Failed to execute command: $APBS pybYcUWA.in --output-file=pybYcUW.out

07 August 2024 6,066 0 View

How do you delete a duplicate pdf for the same paper on ResearchGate?

The first pdf file I uploaded had an error. So I uploaded an updated, corrected pdf of that paper with a different pdf name. I dpon't want the old copy to be download or read.

07 August 2024 9,508 1 View

AUX gas reading problem on QE with full MS and PRM method in one run?

Dear QE-users, In the method where full MS positive mode and PRM mode are used, we always get an incorrect auxiliary gas reading (41 instead of 25). This only happens in this method; other...

06 August 2024 4,953 0 View

JCPDS 65-7246 file please?

Dear Researchers Kindly share JCPDS 65-7246 file Thanks in advance

04 August 2024 5,613 1 View

Dirty and clean?

Hi everyone I need a file with a dirty and clean potato image

04 August 2024 7,199 4 View

Which test should be used to study association among demographic profile and awarness level?

i have to study the awareness and adoption level of cloud computing in a district of India. i also want to use association among demographic variables like gender, age, education, income etc and...

02 August 2024 2,420 3 View

Can't spin-orbit coupling(SOC) be included in optical properties calculation in CASTEP?

I am currently using CASTEP version 2020. When I want to run optical properties calculations with spin-orbit coupling(SOC), I encounter the following error in a pop-up window before the job gets...

02 August 2024 2,890 0 View

Gabriel Vinicius

Do you have access to a private or public/governmental cluster/server but don't know how to run jobs on it, or are you looking for one?

If you have access, you need to check how job submissions are managed. You might be able to run your tasks directly, but sometimes a job scheduler like SLURM is used to allocate resources within the cluster. For SLURM, you don’t need to install it on your end, it is already installed on the server. You just need to 'write' scripts to submit your calc.

Rgds

Akshat Singla

Gabriel Vinicius, I am looking for an online cluster to work on.