Server for quantum espresso calculations?

More Silpa Elizabeth Peter's questions See All

I have a time series data of some biochemical studies ( DNA and Chromosomal damage) which I intend to use to further predict into future ?

I have a time series data of some biochemical studies ( DNA and Chromosomal damage) which I intend to use to further predict into future without necessarily conducting the assay for an extended...

23 February 2021 7,842 1 View

No mRNA increase in PCR after successful transfection in ARPE-19 cells ?

Hello, i am a bit curious about my results. I transfected the human cell Line ARPE-19 with a Plasmid containing a GFP tagged p53 (p53-GFP, Plasmid #11770). After 24h i checked under the...

18 February 2021 3,811 7 View

Do there exist stand-alone permanently in-ground soil-moisture sensors with an installed GSM module, for outdoor use?

Am searching for a stand-alone permanently in-ground soil-moisture sensor with an installed GSM module, for outdoor use. The idea is for the sensor to send a moisture reading via a cellphone text...

04 February 2021 2,047 4 View

What is the easiest way to remove the water from organic solvents?

Hello everyone! I have one question. I have couple of solvents and all of them were pure when they were bought but after some months or years of storage after opening I am not 100% sure about...

03 February 2021 2,154 8 View

Virus neutralization assay in BSL2 lab?

Hi I want to set up a virus neutralisation assay such as PRNT or FRNT at my lab (BSL2), but im uncertain of the bio safety requirements that has to be fulfilled in order to work with...

01 February 2021 5,626 3 View

Using LINK11 to Apply force in ANSYS APDL?

I'm trying to use LINK11 to apply a force as if it was a cable pulling a structure twowards a point in ANSYS APDL. When I solve the model, the deformation of the overall structure is far too...

30 January 2021 7,919 1 View

Cytoflex Flowcytometer, clotting issues and cleaning procedures?

We have been having clotting issues with our Cytoflex S from Beckman Coulter. Back in December 2020, we had to have the tubing system and sample needles replaced, but we are beginning to observe...

28 January 2021 6,897 2 View

Difficulties purifying Outer Membrane Vesicles using a Sucrose Density Gradient: Unable to detect any protein after this process?

I'm currently trying to purify Outer Membrane Vesicles (OMVs) following their extraction from the bacteria I'm working with. After the initial extraction the concentration of protein seems good...

27 January 2021 6,852 3 View

What excamples do you know wasting unused contents of "empty" packaged products?

Most of us use tooth paste more times a day. The empty tube we throw away. I wondered how empty the tube really is. This does not sound being Research? I began to collect empty tubes...

19 January 2021 808 3 View

What is the largest disadvantage in using of face masks at present? What would you like to be improved?

We all use face masks many hours a day. I wonder what are your items you like to be improved. We have the opportunity to write an application for support to a sponsor. Your answers will help us a...

18 January 2021 1,311 4 View

How Relativistic effects is one reason for lanthanide contraction?

The Lanthanide contraction which is the decrease in ionic radii of the elements in the lanthanide series from atomic number 57, lanthanum, to 71, lutetium, is due to poor shielding of the 4f...

01 March 2021 2,272 4 View

Is there a deep reason for using the squared modulus of the wave function as the probability density of the existence of the particle?

I think we were all surprised at the first time we got to know quantum mechanics that the squared modulus of the wave function is the probability density of the existence of the particle? The role...

28 February 2021 6,282 9 View

How to predict the reaction pathway for electro organic synthesis?

Can anyone recommend some any software/models available that can predict substance reactivities and the reaction yield under a specific set of reaction conditions process and proposing pathways to...

17 February 2021 2,383 3 View

How complex systems physics/statistical mechanics would be helpful for particle physics & Networking?

Recently, I've been selected for an ICTP program named Physics of Complex Systems. But, I have a keen interest in Particle Physics & Quantum networks. As statistical mechanics involved in...

11 February 2021 699 3 View

Reason for "reading bands namelist error" in band structure calculation in quantum espresso?

At first, I did the scf run then nscf run followed by another run with calculation set to "bands'. And finally, using command bands.x < example.in > example.out to post-process the data, I...

10 February 2021 7,970 2 View

Applications of General Multiple Sums?

Does anyone know of applications of multiple sums of a sequence? I know of the Multiple Zeta values (which is a multiple sum of 1/N^s). This has multiple applications in quantum physics, QED,...

08 February 2021 8,047 12 View

Why it is required to optimize a unit cell generated from cif lattice parameters and atomic coordinates during ab initio solid state calculations?

A cif file represents a unit cell with minimum energy. My question is, in the start of any ab initio calculation for unit cell generated from the cif file, why we are advised to optimize cell...

19 January 2021 9,883 3 View

Why is the calculation of fluorescence quantum yield involves refraction index of the solvent?

Hi why we are using refractive index of solvents when calculating quantum yield in solvent. What is the effect of refractive index to quantum yield?

17 January 2021 8,848 5 View

What is the best way to calculate electrical conductivity of semiconductors and the same system with a layer of oxide using Quantum Espresso?

I have tried BoltzTrap, and EPW but I'm not sure whether Boltzmann Transport Equation is a right approach for a complex system (semi cond. + an Oxide layer or even the semiconductor itself). Also...

11 January 2021 4,597 4 View

What are the procedures for environment friendly and effective methods to prepare silicon QDs, Si nanotubes and silicene (2D materials)?

There are different nanostructures of silicon like nanotubes, QDs and silicene. I need to know what are the 'green' or other effective methods for preparing them..please share the procedures of...

10 January 2021 3,418 1 View