
Andrea Rizzi
@andrrizzi
Postdoctoral researcher @fz_juelich 🇩🇪 and @IITalk 🇮🇹 | Machine learning and molecular simulations for drug discovery and (bio)chemistry
ID: 941363922438848513
14-12-2017 17:47:03
118 Tweet
649 Followers
227 Following





🚨Deadline extended to 15th February, please RT!🚨 Don't miss the opportunity to work with us and Massimiliano Pontil at the intersection between #ml and #compchem! We forgot to tell we have focaccia, pesto and the sea as benefits as well! IIT ELLIS EllisGenoa



👉Open #phdpositions in the group of Aljaz Godec MPI for Multidisciplinary Sciences in #mathbiophys in Göttingen 🇩🇪! Scroll through the website🔗mpinat.mpg.de/godec for more details on job and research! #job #computation #theory RTs apprechiated! 🤩

Check out our new pre-print from Parrinello Group IIT with Enrico Trizio. We show how collective variables for enhanced sampling can be improved by including transition path data. Plus kinetics of the rare event is recovered during training: t.ly/eL2M #compchem


Together with Anton Frisk Kockum and Martin Rahm we have an open position for a postdoc for AI-driven optimization of quantum computers for chemistry -- apply by July 1st here chalmers.se/en/about-chalm…

Wanna enhance sampling with #machinelearning-based collective variables? Check out the library and the new paper on The Journal of Chemical Physics by Luigi Bonati Enrico Trizio Andrea Rizzi 📜 Paper: doi.org/10.1063/5.0156… 📖 Repo: mlcolvar.readthedocs.io 📁 Docs: github.com/luigibonati/ml… A short🧵


🚨NEW PREPRINT🚨 Peilin Kang and Enrico Trizio present a self-consistent method to: -Compute the committor based on a variational principle🎢 -Extensively sample the transition state ensemble🎯 -Extract physical insights from the results🔍 📜 arxiv.org/abs/2401.05279 IIT 🧵

