Beyond static structures: Putting forth REMD as a tool to solve problems in computational organic chemistry

por Petraglia, Riccardo, Nicolaï, Adrien, Wodrich, Matthew D., Ceriotti, Michele, Corminboeuf, Clemence
Publicado 2016

Predicting retrosynthetic pathways using transformer-based models and a hyper-graph exploration strategy

por Schwaller, Philippe, Petraglia, Riccardo, Zullo, Valerio, Nair, Vishnu H., Haeuselmann, Rico Andreas, Pisoni, Riccardo, Bekas, Costas, Iuliano, Anna, Laino, Teodoro
Publicado 2020

Photochromic Torsional Switch (PTS): a light-driven actuator for the dynamic tuning of π-conjugation extension

por Maciejewski, Jan, Sobczuk, Adam, Claveau, Alexis, Nicolai, Adrien, Petraglia, Riccardo, Cervini, Luca, Baudat, Emilie, Miéville, Pascal, Fazzi, Daniele, Corminboeuf, Clemence, Sforazzini, Giuseppe
Publicado 2017