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ORCIDRiccardo Petraglia
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2010 – 2019
- 2019
[j3]Venkat Kapil, Mariana Rossi
, Ondrej Marsalek, Riccardo Petraglia, Yair Litman, Thomas Spura, Bingqing Cheng, Alice Cuzzocrea, Robert H. Meißner, David M. Wilkins, Benjamin A. Helfrecht, Przemyslaw Juda, Sébastien P. Bienvenue, Wei Fang, Jan Kessler, Igor Poltavsky, Steven Vandenbrande, Jelle Wieme, Michele Ceriotti:
i-PI 2.0: A universal force engine for advanced molecular simulations. Comput. Phys. Commun. 236: 214-223 (2019)- [i1]Philippe Schwaller, Riccardo Petraglia, Valerio Zullo, Vishnu H. Nair, Rico Andreas Haeuselmann, Riccardo Pisoni, Costas Bekas, Anna Iuliano, Teodoro Laino:
Predicting retrosynthetic pathways using a combined linguistic model and hyper-graph exploration strategy. CoRR abs/1910.08036 (2019) - 2018
- [j2]Federico Zipoli, Mahdi Hijazi, Riccardo Petraglia, Valéry Weber, Teodoro Laino:
Semiempirical molecular dynamics (SEMD) simulations: Parameterization and validation for biological systems precursors. IBM J. Res. Dev. 62(6): 5:1-5:9 (2018) - 2016
- [j1]Riccardo Petraglia, Adrien Nicolaï, Matthew D. Wodrich, Michele Ceriotti, Clémence Corminboeuf:
Beyond static structures: Putting forth REMD as a tool to solve problems in computational organic chemistry. J. Comput. Chem. 37(1): 83-92 (2016)
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