How could I extract values of two-electron repulsion integrals from ABINIT and/or QuantumEspresso?

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How does individual liberty transform into a communal one?

Dear Ladies and Gentlemen, I am a young PhD student who has just started the second year of the 4-year PhD programme. I am a political scientist specializing in British colonial political...

29 September 2021 4,179 4 View

Is it possible to replace values with my own np.array in existing GRIB1 file using pygrib?

I have a GRIB1 file in which I need to modify values for several datasets. I create my own np.array and want to replace values for particular dataset in existing file. Does pygrib have the...

15 September 2021 5,712 6 View

How can be explained the difference between zeta potential results obtained in diffetent types of cuvettes (folded capilary cell and dip cell)?

The average difference is 10 mV. And it continues to appear on every single sample. What's the reason? As I know, results must be the same..

22 April 2021 6,672 3 View

LAMP: no change in color of pH-sensitive dyes in positive reaction - can anyone help?

Hello everyone. I`m getting a good amplification in the LAMP reaction (see figures), but I have received no change in color of pH-sensitive dyes (f.c. 0.05-0.1 mM of the Phenol Red, Cresol Red,...

29 October 2020 1,403 3 View

Cheap and rapid method to extract the DNA from MRSA to perform a real-time PCR?

At the first step the MRSA colonies will be selected on CHROMagar plates. After that I would like to perform an real-time PCR to detect mecA and femA (only for qualitative purposes).My first...

11 October 2016 6,933 3 View

How can I quantify 16S rRNA gene copy numbers from each species within a biofilm forming bacterial community and antibiotic resistant genes?

Hello everybody. I have a sample from biofilm forming bacteria and I need to quantify (1) 16S rRNA gene copy numbers from each bacterial species within this sample and (2) antibiotica resistance...

17 September 2015 4,133 3 View

Do Kirchhoff's laws hold in the quantum world?

Imagine we have an electrical circuit containing an element characterized by electrical conductance near the quantum limit e^2/h. For instance, let us consider the voltage divider. Do Kirchhoff's...

28 January 2014 9,759 21 View

Is it possible to do a PhD in 3 years?

Hello Ladies and Gentlemen! I am a first-year PhD student, and my PhD programme is meant to be finished in 3 or 4 years. I have noticed that people usually do it in 4 years, while some stay for...

01 January 1970 1,047 26 View

Finding the art historian

I have a question for the art historians. Is it necessary to have a permission to publish the images of artist's creative works after 58 years of his death in the PhD thesis? It's not a commercial...

01 January 1970 4,288 6 View

How to calculate CCS for Sodiated adduct ions and Multiply Charged Ions?

I'm currently working on calculating the collision cross section (CCS) for various ions, and I'm facing challenges when dealing with sodiated and multiply charged ions. Most of the resources I’ve...

08 August 2024 8,329 0 View

1. If I can quantize the atom using this hyperbolic spiral and classical physics, could nature do the same?

If we map as a continuous motion an ionising electron (beginning its journey at n=1) in an H atom, a specific hyperbolic spiral appears (see animation). When we solve this spiral formula, we find...

07 August 2024 5,343 2 View

How are iso-frequency contours plotted?

Let's say we have a standard, regular hexagonal honeycomb with a 3-arm primitive unit cell (something like the figure attached; the figure is only representative and not drawn to scale). The...

07 August 2024 1,937 1 View

Are air moisture harvesting technologies effective in combating desertification?

Air moisture harvesting Air water collection devices

06 August 2024 5,473 2 View

How to use Density Functional Theory to calculate carrier mobilities of solid system?

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

Best mask design for metal deposition aiming build a Perovskite solar cell device?

What types of mask designs for metal deposition, to be used in a PVD system, are best suited for perovskite-based solar cells?

31 July 2024 4,835 3 View

¿Are oxygen vacancies in semiconductors capable to change the band gap?

Dear all! Oxygen vacancies do raise negatively the Fermi level by increasing the negative charge in the semiconductor crystal structure. In the case of n-type semiconductors, I wonder if this...

30 July 2024 8,339 2 View

Inquiry on Maximum Nucleic Acid Volume for 2.5 mL Liposome Solution?

I am currently working on a project involving liposomes and need to determine the maximum volume of siRNA that can be added to a 2.5 mL liposome solution with a total lipid concentration of 10...

30 July 2024 6,420 1 View

How to build my own lab made four point probe set up?

Hello, I'm trying to measure the conductivity of semiconductor films but since I don't have a commercial four point probe set up I would like to build one on my own in my lab. I have generators,...

30 July 2024 906 2 View

How can I use DFT-D3 correction ( Siesta version 5.0.1)?

Dear Siesta Users, I installed Siesta 5.0.1 and I want to use Grimme's D3 correction. According to the 5.0.1 manual, I could use a few parameters to include the D3 correction in the...

27 July 2024 5,748 0 View