DFT
fro wien2k it can be done for 3d orbital
in graphene
09 October 2015 7,888 0 View
As both the layers have different cell dimensions.
11 December 2014 7,623 3 View
Graphene
01 February 2014 3,449 3 View
Graphene.
01 February 2014 3,140 4 View
Could you recommend some articles on Urban Transportation System optimization and Innovation?
13 August 2024 2,595 3 View
Hi, I'm currently working on a project where I need to plot the atom-projected band structure using GPAW. I've been able to calculate the band structure for my material, but I'm having trouble...
07 August 2024 269 3 View
I am interested to know the behavior of dyes toward light. Specifically, Blue dyes re-emit the spectrum, especially from the green zone (known as principal in LED lamps, and blue dyes are known...
05 August 2024 3,290 1 View
All plants are green but some of these plants becomes yellow. I did not found any reason. Please help me to find out the real problem.
01 August 2024 589 4 View
Hello everyone What is your opinion about the introduction of an expert decision support system in which the rules are extracted from existing data without human intervention, instead of being...
31 July 2024 5,785 4 View
After a lot of feature engineering for click-through rate modeling, it feels like it's basically the end of iteration? I mean, it's not cost-effective to keep doing it?
29 July 2024 4,955 0 View
Our department has recently acquired an HPC (High-Performance Computing) system, and I'm thrilled to take my molecular dynamics calculations to the next level using Desmond. I used to run my...
28 July 2024 6,553 1 View
Hello! I am trying to calculate the sumatriptan molecule, but it has been counting for five days and it does not stop. It seems to me that it is too long and I am doing something wrong. Please...
25 July 2024 3,364 5 View
Dear All: I have to quantify the fluorescence intensity of cells that are fluorescent to two different markers, so i'm interested in finding out if this is possible. Previously I have...
22 July 2024 8,770 1 View
Dear Researchers, My question is associated with the "MDCI" method in Orca. Please let me clarify my question using a simple example: Suppose we are going to perform CBS extrapolation using "!...
21 July 2024 1,632 0 View
