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

Google Summer of Code 2025 with MDAnalysis and WESTPA

I am excited to announce that I have been accepted for Google Summer of Code...

21 May 2025   —  1 minute read