Mariana Rossi
Unilever Professor Of Molecular Sciences at University of Cambridge Yusuf Hamied Department of Chemistry
Hamburg, Germany
Summary
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Senior🎓
Top SchoolMariana Rossi is a computational molecular scientist and professor with over a decade of expertise developing and applying first-principles and path-integral methods to challenging materials and biomolecular problems. Trained in physics at the University of São Paulo and with a PhD from the Fritz Haber Institute/Technische Universität Berlin, she has led independent research groups at the Max Planck institutes and now holds the Unilever Professorship at Cambridge. Her work bridges electronic structure, nuclear quantum effects, and machine learning for atomistic simulations, with a track record of inventing efficient approximations for quantum nuclei in dynamical response properties. A former Junior Research Fellow at Oxford and visiting researcher at EPFL, she combines deep methodological development with leadership roles in international research networks and governance. Notably, she advances computational chemistry by pushing electronic-structure techniques to describe complex biomolecular secondary structures—bringing theoretical rigor to problems often treated only phenomenologically.
11 years of coding experience
5 years of employment as a software developer
Master's degree Physics, Master's degree Physics at USP - Universidade de São PauloDoctor of Philosophy (Ph.D.) Chemical Physics, Doctor of Philosophy (Ph.D.) Chemical Physics at Technische Universität BerlinColégio Anglo, São José dos Campos, Brasil
English, Portuguese, German, Spanish, Italian, French
Github Skills (24)
simulation7
computational-chemistry7
input-parameters4
electron4
genetic-algorithm2
abaqus2
representations2
python1
machine-learning1
gamma1
materials-informatics1
gnuplot1
pytorch1
mercury1
dimensionality-reduction1
Programming languages (6)
Github contributions (5)
sabia-group/i-pi
Feb 2021 - Sep 2022
i-PI: a universal force engine
Contributions:2 reviews, 5 commits, 3 PRs in 1 year 7 months
force
sabia-group/How-Tos
Oct 2024 - Jun 2026
This repository will host How-To examples by the group
Contributions:9 reviews, 12 PRs, 40 pushes in 1 year 8 months
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