IIT People Search

Research center

I am a chemist, and I studied at the University Federico II of Naples where I obtained my Ph.D. in Chemical Sciences.  I joined IIT after an exciting post doc in the Martínez group at the Stanford University.  

Currently, I am a Postdoctoral Researcher in the  Atomistic Simulations group led by Prof. Parrinello. 

My research interests lie at the intersection of chemistry, and computer science. I develop and apply theoretical methods to explore photoinduced processes, and discover new chemical reactions in complex environments using enhanced sampling techniques. Alongside these research topics, I'm also interested in combining cutting-edge technologies in machine learning, cloud computing and augmented reality to develop interactive applications to make computational chemistry readily accessible for the wider community.

Experience External

Title: Post Doc
Institute: Stanford University
Location: Stanford
Country: USA
From: 2019 To: 2021

Title: Post Doc
Institute: Chimie ParisTech
Location: Paris
Country: France
From: 2018 To: 2018

Title: Post Doc
Institute: University of Naples Federico II
Location: Napoli
Country: Italy
From: 2016 To: 2018

All Publications
Mambretti F., Raucci U., Yang M., Parrinello M.
How Does Structural Disorder Impact Heterogeneous Catalysts? The Case of Ammonia Decomposition on Non-stoichiometric Lithium Imide
ACS Catalysis, vol. 14, (no. 3), pp. 1252-1256
Article Journal
Ray D., Das S., Raucci U.
Kinetic View of Enzyme Catalysis from Enhanced Sampling QM/MM Simulations
Journal of Chemical Information and Modeling, vol. 64, (no. 9), pp. 3953-3958
Article Journal
Das S., Raucci U., Neves R.P.P., Ramos M.J., Parrinello M.
How and When Does an Enzyme React? Unraveling α-Amylase Catalytic Activity with Enhanced Sampling Techniques
ACS Catalysis, vol. 13, (no. 12), pp. 8092-8098
Article Journal
Raucci U., Weir H., Sakshuwong S., Seritan S., Hicks C.B., Vannucci F., Rea F., Martinez T.J.
Interactive Quantum Chemistry Enabled by Machine Learning, Graphical Processing Units, and Cloud Computing
Annual Review of Physical Chemistry, vol. 74, pp. 313-336
Review Book Series
Xu W., Sanchez D.M., Raucci U., Zhou H., Dong X., Hu M., Bardeen C.J., Martinez T.J., Hayward R.C.
Photo-actuators via epitaxial growth of microcrystal arrays in polymer membranes
Nature Materials, vol. 22, (no. 9), pp. 1152-1159