Interested in GSoC 2023

[anik faisal]

Hello MDAnalysis Team,

I am Anik Faisal, a PhD candidate in computational materials science at Colorado State University, USA. I have been working on modeling atomic scale plasticity in metallic materials using atomistic simulation packages like LAMMPS,  VASP and MD++. My most recent project is focused on analyzing simulation data with thousands of atoms in order to identify crystalline defects. For this, I have developed a method that computes bond lengths between atoms and predicts the type of defect present under large deformation conditions. I have used slip vector analysis, centrosymmetry parameter and common neighbor analysis to determine local lattice disorder caused by plastic deformation. Implementing python graph network analysis packages for this project has been a topic of interest for me and so I am very interested in applying for Project 1: Generalise Groups. 

I have read through the MDAnalysis GSoC blog post and currently working on committing in the development branch of MDAnalysis for eligibility. In addition to Project 1, I am also interested in Project 3. As a long term user of molecular simulation and visualization packages, I have always been interested in learning about and contributing to developing these packages and so the possibility of being involved in MDAnalysis benchmarking is very intriguing. 

Finally, I would love to know more about any other requirements for the application beyond working on the GSoC starter issues as explained in the blog post.

Thanks!

-Anik

[Project Manager MDAnalysis]

Hi Anik,

Welcome to MDAnalysis! We are happy to hear you are already working on contributing your first PR to the project. Could you please provide your GitHub handle and let us know if there is a particular issue you are working on? It is helpful for GSOC mentors to track which applicants are working on which issues.

While your PR is being reviewed, the next step would be to draft your proposal. See here for our guidance on "How to write a great application," and make sure to reference the GitHub FAQ wiki page while writing your proposal. You can then register as a contributor and submit your drafted proposal for feedback from the mentors. Please keep in mind that your final proposal must be submitted to the GSoC portal by Tuesday, April 4th at 18:00 UTC. We are doing our best to provide feedback on proposals we receive before the deadline, but due to the number of applications, we may not be able to comment on all proposals. 

We look forward to your contribution.

All the best,
Jenna

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GSoC 2023: Read https://www.mdanalysis.org/2023/02/22/gsoc2023/
Our FAQ: https://github.com/MDAnalysis/mdanalysis/wiki/GSoC-FAQ
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[anik faisal]

Hi Jenna,

Thanks for responding! Even though I have experience with MD simulations, I am new to open source contributions on github and was planning on learning about this before making the PR. Unfortunately, I was under the impression that the deadline is April 19th instead of actual deadline tomorrow. As I have commitments to my current research work, I will not be able to make the PR and write the proposal within this short period of time. I wish I knew about this opportunity a few days earlier but wishing the best for all the candidates and would like to thank all the MDAnalysis developers for creating this wonderful tool for research.

-Anik

[Project Manager MDAnalysis]

Hi Anik,

Thank you for letting us know. You are always more than welcome to contribute to MDAnalysis outside of GSoC. If you are interested, our user guide has more information and resources to get you acclimated with contributing to open source software using GitHub: https://userguide.mdanalysis.org/stable/contributing.html#version-control.

Best wishes,

Jenna

[Rocco Meli]

Hi Anik,

I'm sorry to hear you discovered about GSoC with MDAnalysis too late. 

We might apply for GSoC again next year. Since you are in the MD/Comp Chem/Comp Mat Sci field, so stay tuned.

In the meantime, I'd suggest to start using MDAnalysis in your research to get used to the package and see if you like it. =) I'm sure you will find bugs, and in such case you can contribute to MDAnalysis without the time pressure/constraints of GSoC. This way, if you decide to try to apply next year you'll already one or several PRs merged together with a deeper understanding of the package so that you will be able to focus all your energies on the proposal.

All the best,

Rocco

[anik faisal]

Hi Rocco,

Thanks for your response! I will definitely start using MDAnalysis in my research. Will also make sure to make a few PR. 

-Anik