How to get low energy model Hamiltonian of a material from DFT calculation?

I need to find the low energy model Hamiltonian for a material (semimetal). I heard that this is possible by using Wannier90 clubbed with VASP or QE. It would be very helpful for me if someone...

18 September 2019 6,649 2 View

Why my RMSD graph of two helical heterodimeric proteins is getting distorted?

The molecular simulation of two 50 amino acid long helical proteins forming heterodimer has ran 100ns then again ran for 50 ns. But the RMSD graph deformed. I have used gromacs 5.0 and saved it...

19 June 2019 6,850 7 View

In LS Dyna, how to manually write the script for Contact_1D function for bond between reinforcement and concrete Through Beam_in_Solid function ?

Hi all, we already know that to model a bond between reinforcement and concrete, we can use contact one-dimensional model and also give user defined bond laws using Beam in solid function. My...

12 May 2019 3,168 10 View

What are the colours of different compounds after biochemical staining on TLC plate with p-anisaldehyde -sulphuric acid and Vanilin-sulphuric acid?

19 July 2017 782 3 View

Can silicon dioxide convert to elemental silicon by carbon at low temperature?

30 September 2016 1,853 3 View

How to compare different concentrations of nanoparticles for characterization from ICP-MS?

I took measurements of different concentrations of 15 nm and 5 nm Au nano particle solutions. I'm trying to determine which concentration I measured gives the best reading overall. I also...

02 March 2021 7,626 1 View

Any research papers for extraction of nutrient deprivation on macroalgae? Analysed by HPLC-UV and GC/MS. Possibly from macroalgae genus Rhizoclonium?

I am doing my thesis on the nutrient deprivation on the macroalgae Rhizoclonium sp. I will be analysing the levels over a period of roughly 5 days by HPLC-UV and GC/MS. I will be using seawater as...

28 February 2021 6,477 1 View

Genome-wide gene identification protocol ?

Is there any book chapter/book, webpage or research article available to understand genome-wide gene identification?

28 February 2021 8,095 1 View

How to improve and implement WBAN MAC and Radio modules under Castalia 3.2 ?

Hello researchers, Hello Castalia3.2 researchers I am a beginner with Castalia, I work on optimization of RFID systems used in wireless body networks. I simulated a WBAN with 10 nodes and one...

28 February 2021 400 1 View

I want to performe MALDI-TOF MS for bacterial identification, I would appreciate it if anyone can tell me the matrix solution preparation protocol ?

based on what I've studied on multiple papers, for peptide and protein identification Alpha-cyano-4-hydroxycinnamic acid (CHCA) is an appropriate matrix to use, I also know that the CHCA powder...

26 February 2021 6,799 3 View

Can anyone help with Schistosoma identification?

Can anyone identify what kind of Schistosome species this might be? Morphological features of cercariae and adults resemble Trichobilharzia, though I am fairly new to the field of parasitology...

25 February 2021 7,760 6 View

I have need of XRD graph analysis software for phase identification. Can you please provide links for software tools which can be downloaded?

i am trying to download x'pert high score software, but can't download it. please do suggest software for phase analysis

24 February 2021 5,687 4 View

How does the injection volume impact LLOQ and ULOQ in regression analysis (LC-MSMS)?

Hello, I have run into an issue that has sparkled a debate at work: is the LLOQ/ULOQ impacted by injection volume under the following circumstances: 1) Same dilution factor of all samples 2)...

23 February 2021 9,159 3 View

Please help in identification of this insect?

This insect is minute in size around 1 mm and not clearly visible with naked eye.

22 February 2021 5,907 11 View

What are the available keys and descriptions for the identification of lice and fleas in domesticated animals?

I am an undergraduate student at the University of Peradeniya Sri Lanka, currently working on ecto-parasites in domesticated animals. I found difficulties in the identification due to a lack of a...

15 February 2021 277 1 View