Contributor: Xu Hong Chen Mentors: Hugo MacDermott-Opeskin (@hmacdope), Orion Cohen (@orionarcher) Organization: MDAnalysis Transport property analyses are among the most requested features in t...

To finish off my GSoC experience, Hugo, Orion, and I agreed to start a reproduction of tried and tested transport property calculations in the literature to validate my implementations of self-diff...

The weeks since my last post have been some of the most frustrating and rewarding. I struggled with testing Einstein-Helfand viscosity, but being persistent in my debugging and proactive in meeting...

Even with my 2 week Vancouver housing search getting in the way, the past period has been satisfying. I finished the bulk of the self-diffusivity implementation, added a plotting function for the v...

Fruitful Beginnings The past two weeks have been full of progress and unexpected challenges. Communication with my mentors and the MDAnalysis organization as a whole has gone well, and everyone ha...

Rationale Transport properties are among the most requested computations in the MDAnalysis project. These measurable values defining the transfer of mass, momentum, heat, and charge are widely use...

A year ago, I faced the greatest predicament of my education so far: I had finally found the discipline truest to my interests, but it was not my area of study. I had been fortunate enough to lead ...