Rubicon

2023 May 11 - Check-this-out! The electronic coarse-grained modeling work applied to redox-active, radical-containing polymers is out on Macromolecules! I am incredibly excited about this works that leverages machine learning to bridge the quantum and coarse-grained scales! Check out also the Github repo and try out the models for yourself! More tutorials coming, reach out to me in the meantime (alessandri@uchicago.edu).

2023 Apr 06 - Exciting news! Our collaboration between with the Wang group on intrinsically stretchable organic ligth-emitting diodes is out on Nature Materials! Shout-out to Wei Liu, who led the experimental side, and Cheng Zhang, who both performed experiments and led the simulation side, for the amazing work!

2023 Jan 12 - Led by Pablo Zubieta, we present PySAGES, a flexible Python-based suite for enhanced sampling simulations and more! Powered by GPUs and many machine learning-enhanced methods. Take a look at the Github repo that includes many examples.

2022 Nov 17 - I presented our recent work at #AIChe22: twitter link.

2022 Sep 06 - The first first-author manuscript of my Rubicon project is out as a preprint on the arXiv! Check it out, feedback is welcome!

2022 Jun 24 - While the first first-author manuscript of my Rubicon project is almost there, check out this perspective I co-authored about Martini’s past, present, and future.

2022 Mar 10 - I am presenting my work on machine learning-enhanced multiscale modeling of polymer materials for energy storage applications at the APS March Meeting 2022.

2021 Oct 1 - Starting my Rubicon project! See my post on Linkedin.

2021 Jun 21 - I was awarded a Rubicon Postdoctoral Fellowship by the Dutch Research Council (NWO) (in the news) to combine multiscale modeling and machine learning to help discover new polymer materials for energy storage!