Greetings, I hope this message finds you well. Over the past day, I have been working on Apothesis and have made some progress in tweaking input.kmc to achieve different runs. I have created several Python scripts to run Apothesis with different input parameters and have also written two additional scripts to clean the outputs and generate plots. Please find attached the scripts, the results obtained, and a few inferences. I have identified a few potential Quality of Life improvements, including adding details on how to run the software in the README.md, moving the ./apothesis executable inside the src folder, and providing instructions on how to use the attached script(s) in the PDF. Should I make pull requests for the first two, since they are essential to anyone using Apothesis? 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? Please let me know your thoughts and any feedback or criticism you may have. Thank you for your valuable time and consideration. Best regards, Ujjwal Shekhar ________________________________ From: Nikolaos (Nikos) Cheimarios <nixeimar [ at ] chemeng [ dot ] ntua [ dot ] gr> Sent: Wednesday, March 22, 2023 8:38 PM To: Ujjwal Shekhar <ujjwal [ dot ] shekhar [ at ] research [ dot ] iiit [ dot ] ac [ dot ] in>; gsoc-developers [ at ] ellak [ dot ] gr <gsoc-developers [ at ] ellak [ dot ] gr> Subject: Re: GSoC Project - Interest in "Creating new lattices for Apothesis" idea 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><mailto:nixeimar [ at ] chemeng [ dot ] ntua [ dot ] gr> Sent: Tuesday, March 21, 2023 2:06 PM To: gsoc-developers [ at ] ellak [ dot ] gr<mailto:gsoc-developers [ at ] ellak [ dot ] gr> <gsoc-developers [ at ] ellak [ dot ] gr><mailto:gsoc-developers [ at ] ellak [ dot ] gr>; Ujjwal Shekhar <ujjwal [ dot ] shekhar [ at ] research [ dot ] iiit [ dot ] ac [ dot ] in><mailto: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
Attachment:
ApothesisParametricStudy.pdf
Description: ApothesisParametricStudy.pdf
---- Λαμβάνετε αυτό το μήνυμα απο την λίστα: Λίστα αλληλογραφίας και συζητήσεων που απευθύνεται σε φοιτητές developers \& mentors έργων του Google Summer of Code - A discussion list for student developers and mentors of Google Summer of Code projects., https://lists.ellak.gr/gsoc-developers/listinfo.html Μπορείτε να απεγγραφείτε από τη λίστα στέλνοντας κενό μήνυμα ηλ. ταχυδρομείου στη διεύθυνση <gsoc-developers+unsubscribe [ at ] ellak [ dot ] gr>.