Normalized density profile ρ(r)/ρ0 of metal ions around carbon nanotube from NAMD simulation data
20 May 2024 449 2 View
I intend to model a water-chloroform interface with some polymer chains. How can I calculate the number of atoms and the size of the simulation box by knowing the density for the MD simulation?...
05 May 2024 1,701 0 View
Hi, I am currently performing NVT equilibration of i-pma in a water-CCl4 box. Four moles of pre-equilibrated pma with a length of 30 units were randomly inserted into the pre-equilibrated...
10 April 2024 4,290 0 View
The deferred correction method is a popular approach that enables to implement higher order (HO) convection schemes without losing out on stability issues such as diagonal dominance when solved...
14 February 2024 2,716 0 View
I am new to limiters in FVM CFD so pardon me if its a blunder. Was curious about Venkatakrishnan's limiter (first image) that is industry standard in many commercial CFD solvers. He came up with...
14 February 2024 5,745 2 View
My medical students are asking what are the relevant medical apps to learn more about the subjects.
21 December 2023 8,065 2 View
I am optimizing crystal structure using quantum atk.In the output file it shows "Warning: The calculation did not converge to the requested tolerance!".Could anyone help me to solve the issue?I am...
04 November 2023 1,297 1 View
Hi, I am calculating the band structure of a double heterojunction with 116 ions using vasp. The geometric optimization and scf calculations are finished successfully. but when the band structure...
04 November 2023 8,309 0 View
Hi, I need to do electronic properties calculation on bigger systems like Bi2MoO6. DFTB in Material studio is found to be good for the process. But I dont know the fitting of parameters in...
02 November 2023 4,472 0 View
I need to calculate the electronic properties of Bi2MoO6 using DFTB+ in material studio.But I dont know how to generate the slater koster files in dftb in material studio Could anyone help...
24 October 2023 6,900 2 View
I need to do some experiment with it in liquid form.
07 August 2024 613 3 View
I am trying to recover liquid CO2 from a mixture of 0.6 CO2, 0.3 N2, and 0.1 O2. My aim is to recover about 99% liquid CO2 at the bottom of the column and make sure the amount of gaseous CO2...
06 August 2024 4,611 0 View
I have prepared a liquid broth containing Yeast (S. Cerevisiae) that i need to add from it to fermentation media of lignocellulosic hydrolysate. I need to know based on what parameters do we add...
06 August 2024 662 1 View
What is the best way to freeze the rat brain - liquid nitrogen, Dry ice , isopentane - after isolation for later protein investigation by Elisa?
01 August 2024 1,722 1 View
What can be a hypothesis related to the Stock out Cost or Shortage Cost?
29 July 2024 9,259 2 View
Hi, I need to prepare a standard curve of H2O2 to evaluate the primary products of oxidation. H2O2 I have is 35%. How do I prepare a stock of H2O2 10 microlitere. If s.o has experience, I would be...
26 July 2024 3,460 2 View
I understand a glycerol stock for long-term preservation would be ideal, but how are working cultures generally stored? Mainly concerning Candida spp. isolates. A few references mention that they...
22 July 2024 6,592 3 View
Can we conduct DFT studies for Ionic Liquids with Amines at various concentrations? If so, how can we proceed with these studies? Additionally, what parameters, besides IR, NMR, and HOMO-LUMO, can...
18 July 2024 319 1 View
Our lab has some radioactive cell samples that need to be kept frozen for at least 30 days before flow analysis. For some reason, the samples stored in liquid nitrogen did not perform as well as...
15 July 2024 9,975 1 View
Hi ResearchGate community, how are you? I need to request your help to mitigate the generation of microbubbles detected during the slide preparation of sample metaphase chromosomal spreads. I...
01 July 2024 7,694 4 View