Τhank you very much Ujjwal.
You have done an excellent work.
I kindly ask you to perform some experiments with Apothesis.
The input file contains the system to simulate.
CO + * -> CO*: constant 0.4 #0.389
This is the yCO.
O2 + 2* -> 2O*: constant 0.15 all #0.611
This is the yO.
I kindly ask you to make a parametric study, i.e. change the value of
yCO from 0.1 to 0.9 and yO = (1-yCO)/4
and measure the growth rate and the coverage.
Set time to 1000 (e.g. time: 1000).
So at the end you can report a table:
time step | yCO | yO | growth rate | coverage CO | coverage O |
The time step in the table is where the run will stop. Once you execute
apothesis you will understand what I am talking about.
Best regards,
Nikos
Στις 22/3/2023 12:55 μ.μ., ο/η Ujjwal Shekhar έγραψε:
Greetings,
I hope you're doing well. I have successfully compiled Apothesis on my
local machine and have attached the commands I used for future reference.
Furthermore, I have been actively working on expanding my
understanding of Monte Carlo methods and basic Markov Chains beyond
the scope of my coursework. Yesterday, I studied these concepts from
various online resources and specifically explored how to model
Graphene lattice using KMC. Although the resource used MATLAB, I am
confident that I can easily replicate the concepts in C++. I have
included my notes and relevant links for you to look over.
Moving forward, I would appreciate your guidance on what steps to take
next. Should I begin working on my proposal? If so, what components
should I include, and do you think I should update you at certain
intervals? I welcome any feedback or criticism that you may have.
Thank you for your valuable time and consideration.
Best regards,
Ujjwal Shekhar
/P.S.: The commands used for compiling Apothesis on Ubuntu 20.02
```bash (In the Apothesis directory)
/
/sudo apt install qtchooser/
/sudo apt-get install qt5-default/
/qmake/
/make
```/
_
_
------------------------------------------------------------------------
*From:* Nikolaos (Nikos) Cheimarios <nixeimar [ at ] chemeng [ dot ] ntua [ dot ] gr>
*Sent:* Tuesday, March 21, 2023 2:06 PM
*To:* gsoc-developers [ at ] ellak [ dot ] gr <gsoc-developers [ at ] ellak [ dot ] gr>; Ujjwal
Shekhar <ujjwal [ dot ] shekhar [ at ] research [ dot ] iiit [ dot ] ac [ dot ] in>
*Subject:* GSoC Project - Interest in "Creating new lattices for
Apothesis" idea
Dear Ujjwal. Thank you for you interest in our project.
I kindly ask you to first compile apothesis.
Are you familiar with the kinetic Monte Carlo method?
Best regards,
Nikos
----
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