Cover is out for our paper "Multiscale Simulation of the Depolymerization of Dehydrochlorinated Polyvinyl Chloride". We use our MUSIK simulation framework to explain why depolymerization stops when catalyst and polymer are still available. #MyACSCover doi.org/10.1021/acs.ie…

Happy to have the my nanoparticle simulation work out in the new Angewante Novit (Angewandte Chemie) open access journal!

#AngewandteChemieNovit Tibor Szilvási (Tibor Szilvási) and co-workers The University of Alabama investigate how metal-support interactions reshape nanoparticle catalyst surfaces 🔓 onlinelibrary.wiley.com/doi/10.1002/an…

Thank you American Chemical Society COMP division for the OpenEye Cadence Molecular Sciences Outstanding Junior Faculty Award in Computational Chemistry!

Published in #AngewandteChemieNovit: Global optimization via machine learning interatomic potentials enables identifying more realistic and stable of supported nanoparticles. By Tibor Szilvási & co-workers (Tibor Szilvási). Read it here: doi.org/10.1002/anov.7…

#AngewandteChemieNovit #OnTheCover Metal-Support Interactions Reshape Nanoparticle Catalyst Surfaces (Tibor Szilvási and co-workers) onlinelibrary.wiley.com/doi/10.1002/an… Tibor Szilvási The University of Alabama 🔓 onlinelibrary.wiley.com/doi/10.1002/an…

💬🧪 Behind the Science Interview: Tibor Szilvási Tibor Szilvási about how they used modeling and ML to show how metal-support interactions change the shape of Au nanoparticles under real-world conditions - research published in #AngewandteChemieNovit doi.org/10.1002/chemv.…

Tibor Szilvási doi.org/10.1002/chemv.…

My Introducing profile is out in Angewandte Chemie. onlinelibrary.wiley.com/doi/10.1002/an…

MS25: Materials Science-Focused Benchmark Data Set for Machine Learning Interatomic Potentials pubs.acs.org/doi/10.1021/ac… Tristan Maxson Ademola Xinglong Zhang Tibor Szilvási #JCIM Vol65 Issue15 #MachineLearning #DeepLearning

The cover is out for our paper "Modeling the Behavior of Complex Aqueous Electrolytes" where we show how machine learning interatomic potentials can provide insights into the structure of electrolytes. Paper: pubs.acs.org/doi/10.1021/ac…

Thank you NVIDIA for supporting my group's research on applying machine learning interatomic potentials in materials science via an #NVIDIAGrant from NVIDIA AI Developer.