Paolo Nicolini, Ph.D.

I obtained an MSc in Chemistry in 2008 at the University of Padua (Italy) with a thesis on slow manifolds in chemical kinetics. In 2012 I got a PhD in Chemistry at the University of Florence (Italy) working on development and application of nonequilibrium simulation methods for free energy calculations. I then moved to the Technical University of Catalonia (Barcelona, Spain) for a one-year postdoc experience developing new classical force fields for water using the force matching approach. Since 2013 I am working in the Czech Republic, first as a postdoc (and then as an assistant professor) at the Czech Technical University in Prague, performing research in computational tribology. In 2022, I joined the Department of Condensed Matter Theory at FZU, focusing my research on the interactions between organic molecules and ionic surfaces.

Main topics:

• molecular dynamics simulations (e.g. DOI: 10.1002/jcc.23286)
• Monte Carlo calculations (e.g. DOI: 10.1021/ct100568n)
• free energy estimation (e.g. DOI: 10.1021/jp102263y)
• classical force fields (e.g. DOI: 10.1016/j.commatsci.2016.01.013)
• slow manifolds in chemical kinetics (e.g. DOI: 10.1007/s10910-019-01005-4)
• force matching technique (e.g. DOI: 10.1063/1.4829444)
• in silico tribology (e.g. DOI: 10.1038/s41563-021-01058-4)

ORCID 0000-0003-1324-7566
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