GSoC 2025 Final Blog Post - On-the-fly Analysis of WESTPA Segments using Trajectory Streaming

My Google Summer of Code project has been an amazing experience, and I’m deeply grateful...

26 Aug 2025   —  6 minute read

Week 10-11: Detailed Benchmarking Analysis

Follow on from the Last Post In the last blog post, I discussed the creation...

26 Aug 2025   —  6 minute read

Week 8-9: Creating Test Systems for Benchmarking

As I mentioned at the end of the last post, now that the trajectory streaming...

12 Aug 2025   —  4 minute read

Week 6-7: Testing with LAMMPS and NAMD and integrating into WESTPA

These past two weeks I have focused on two different tasks: testing the trajectory streaming...

22 Jul 2025   —  6 minute read

Week 4-5: Implementing Trajectory Streaming via a Python Script

What I have been working on in the last few days follows on from the...

06 Jul 2025   —  5 minute read

Week 3: Attempting to Create a Trajectory Streaming Propagator in WESTPA

As mentioned in my previous blog post I have started to explore the integration of...

25 Jun 2025   —  5 minute read

Week 1-2: First Attempt at Trajectory Streaming Using Bash Scripting

In the first two weeks of my GSoC project, I focused on setting up a...

24 Jun 2025   —  4 minute read

Introduction to Weighted Ensemble Simulations and MDAnalysis Streaming

As mentioned in my last post, I am thrilled to have been accepted for Google...

28 May 2025   —  2 minute read