Is there any way to convert the pseudopotential of various computational packages to each other?
Currently working on my master's thesis proposal, which involves exploring the interplay among 7 variables. This has led to the formulation of 13 research hypotheses. I'm curious to hear thoughts...
08 March 2024 4,344 2 View
Hi 👋 I hope this message finds you well. I am currently collecting data on the design of a reactor system operating at 200 bar pressure and 300 degrees Celsius temperature, with a reactor volume...
28 December 2023 6,795 1 View
What criteria are there to consider a plant species as an invasive species in rangeland ecosystems? Are there any standard protocol to evaluate the invasionsess situation of species?
27 February 2023 3,979 7 View
I read some suggested books regarding building qualitative interview questions but I am still lost and worried. I rewrite my interview question nearly 20 times but still do not know whether it is...
14 October 2022 2,846 5 View
The sodium concentration is less than 0.05 M.
10 September 2022 4,600 1 View
Drought Monitoring and Detection
26 April 2022 2,997 4 View
I'm looking for a heuristic algorithm to solve facility location problem
15 June 2021 3,027 6 View
I need a procedure for measuring isoelectric point of polymer by potentiometric titration method. thanks
09 May 2021 5,701 1 View
In the synthesis of metal oxide nanoparticles by sol-gel method, how surface tension of solvents affect crystal growth?
06 January 2021 3,930 3 View
As we are doing RNA seq for some cell lines before and after treatment, how many tests should we do for each sample to validate data statistically?
04 January 2021 6,682 2 View
PeptiCloud (www.pepticloud.com) is a bioinformatic platform that allows researchers to organize and share their data for their projects as well as collaborate with others in one place. Through...
28 July 2024 4,762 2 View
> library(meta) Error: package or namespace load failed for ‘meta’ in loadNamespace(i, c(lib.loc, .libPaths()), versionCheck = vI[[i]]): there is no package called ‘numDeriv’
18 July 2024 3,536 0 View
Using DFT/B3LYP/6-311++G
17 July 2024 7,720 1 View
Hello dear colleagues and professors Please what is the recommended type of pseudopotentials for QE? ultrasoft or norm conserving?? And from where get all types of pseudos (us, nc, pbe,...
09 July 2024 9,541 5 View
What are the reasons why we need to practice proper post-harvest handling including packaging, after harvesting fruits and vegetables?
02 July 2024 9,999 2 View
How is active packaging as a method of preserving fruits and importance of handling packing of fruits and vegetables in prolonging their life and maintaining their quality?
02 July 2024 2,796 2 View
I have seen during DFT calculation some authors comment that LDA/GGA functional overestimates/underestimates the band gap/lattice constant of some materials. Before going to the main calculation,...
25 June 2024 3,412 9 View
How can contexual bandits (used in Recommendation Systems) be implemented in code via library package ?
18 June 2024 3,196 6 View
I'm currently working on a project involving group-based trajectory modelling and am seeking advice on handling multi-level factors within this context. Specifically, I'm interested in...
16 June 2024 8,765 0 View
I am new to computational calculations and it is very difficult to select a pc or laptop for quantum chemical calculation. It would be great if anyone just give me a list contains specified type...
09 June 2024 4,988 2 View