Are some cultivars of wheat with genome of the species T. macha?
Hello, everyone. I have tried to determine carrier motilities of some materials, by Density Functional Theory, using Quantum ESPRESSO. There are a few methods to do it, like a package called...
04 August 2024 8,894 1 View
I have a numeric dependent variable (drug reports in schools) with three binary categorical predictors - whether schools receive drug training, whether schools receive discipline training, and...
07 May 2024 9,833 4 View
Hello, everyone. I have been using Quantum Espresso to do some calculations, and I noticed something in the output of the process. I use normally QE in Windows10, but I installed Ubuntu via WSL...
13 December 2023 7,934 5 View
Hello all. I work with Organic-Inorganic Perovskite CH3NH3PbI3. There are papers describing the energies of Highest Occupied Molecular Orbitals (HOMO) and Lowest Unoccupied Molecular Orbitals...
05 September 2023 8,278 2 View
I saw many examples, in classes, videos or tutorials, of creating a profile file of an XRD instrument, for Rietveld Refinement. But I did not understand how the standards are used to do this. I...
04 August 2023 9,513 4 View
Hi all, I am working on a book proposal about Cinderella in Latin America. I am looking for collaborators. If you have any interest in this topic, or have written on any related themes, please...
30 January 2023 8,239 2 View
I am looking for ab initio methods that can estimate Electron Affinity from a material. Is there any methodology, or software that can calculate it? Quantum Espresso? Gaussian?
06 November 2022 6,577 1 View
Hi everyone. I've been trying to do calculations of Density Functional Theory in perovskites, using Quantum Espresso. However, the organic-inorganic perovskites, like CH3NH3PbI3 are making me...
30 October 2022 3,787 5 View
Hello everyone, I've bee struggling with Rietveld Refinement of this ZIF-8 MOF XRD diffractogram. The peak correspondent to 110 reflection is very asymmetric and my refinement is not good...
17 October 2022 7,855 5 View
Hello, I am studying Density Functional Theory, and how to make inputs and calculations for Quantum Espresso package. I have questions about the atomic positions of a crystal system and how...
04 October 2022 8,468 1 View
Hello everyone, I recently submitted an article to Geotechnical Engineering (Proceedings of the ICE), and the current status has been listed as "EiC Pre-assessment: Ready" for the past 20 days. I...
10 August 2024 6,493 1 View
I am Looking for a Science Journal with good impact factor and low publication cost to publish a review paper. Your suggestions would be appreciated.
06 August 2024 6,796 3 View
How do soil microflora interact with plant roots and influence plant nutrition, health, and productivity?
06 August 2024 9,618 3 View
Hi, I know that low molecular weight (MW) molecules generally tend to have higher mobility, while high molecular weight molecules tend to have lower mobility. However, in my experimental...
06 August 2024 1,495 2 View
I need the python code to forecast what crop production will be in the next decade considering climate and crop production variables as seen in the attached.csv file.
05 August 2024 2,977 3 View
kindly reply me. Thanking you in advance.
05 August 2024 7,727 4 View
Any idea about 'International Research Journal of commerce , arts and science? Is it a UGC listed journal? Kindly advice
04 August 2024 7,367 3 View
As authors and academic writers, we usually prepare our manuscript using our own resources. We submit these manuscripts to scientific Journals for peer review and publication sometimes at a fee....
03 August 2024 7,304 2 View
Is it possible to conduct a molecular dynamics simulation to see the effects of a specific carbohydrate on the structure of lipids (e.g., micelle structure)? I am a beginner in this field and plan...
03 August 2024 3,371 3 View
I am using a windows system, what software I should use for hydration shell analysis with molecular dynamics?
02 August 2024 3,143 4 View
