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Umberto Raucci

Post Doc
Atomistic Simulations
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
Stricker F., Sanchez D.M., Raucci U., Dolinski N.D., Zayas M.S., Meisner J., Hawker C.J., Martinez T.J., Read de Alaniz J.
A multi-stage single photochrome system for controlled photoswitching responses
Nature Chemistry, vol. 14, (no. 8), pp. 942-948
Article Journal
Sakshuwong S., Weir H., Raucci U., Martinez T.J.
Bringing chemical structures to life with augmented reality, machine learning, and quantum chemistry
Journal of Chemical Physics, vol. 156, (no. 20)
Raucci U., Weir H., Bannwarth C., Sanchez D.M., Martinez T.J.
Chiral photochemistry of achiral molecules
Nature Communications, vol. 13, (no. 1)
Raucci U., Rizzi V., Parrinello M.
Discover, Sample, and Refine: Exploring Chemistry with Enhanced Sampling Techniques
Journal of Physical Chemistry Letters, vol. 13, (no. 6), pp. 1424-1430
Raucci U., Sanchez D.M., Martinez T.J., Parrinello M.
Enhanced Sampling Aided Design of Molecular Photoswitches
Journal of the American Chemical Society, vol. 144, (no. 42), pp. 19265-19271