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Mariana Rossi

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Professor

University of Cambridge

United Kingdom

Research Interests

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Professors in United Kingdom Professors in Condensed Matter Physics Condensed Matter Physics professors in United Kingdom

Recent Grants

Grant: Open

An uncertainty toolkit for machine learning atomistic modelling (AUTOMA)

Open Date: 2025-01-01

Close Date: 2028-12-31

Grant: Close

Predicting structure and properties of mol2Dmat heterostructures by machine learning (A06)

Open Date: 2025-01-01

Close Date:

Grant: Close

QUADYMM Consolidator Grant

Open Date: 2025-01-01

Close Date:

Grant: Close

Lise Meitner Group

Open Date: 2020-01-01

Close Date: 2024-12-01

Grant: Close

Temperature effects on the atomic and electronic structure of organic/TMDC interfaces (A13*)

Open Date: 2019-01-01

Close Date: 2023-12-31

Articles (20)

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Collaborators (14)

Andrea Grisafi

CNRS researcher

Sorbonne Université

FRANCE

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Alexandre Tkatchenko

Chair of Theoretical Condensed Matter Physics

University of Luxembourg

LUXEMBOURG

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Erik van Loon

Lund University

SWEDEN

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Christian Carbogno

Fritz-Haber-Institut der Max-Planck-Gesellschaft

GERMANY

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Paul Kent

Oak Ridge National Laboratory

UNITED STATES

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Eduard Valeyev

Professor

Virginia Tech

UNITED STATES

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Jan Berges

University of Bremen

GERMANY

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Luana S. Pedroza

Prof. Dr

University of Sao Paulo

BRAZIL

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Igor Poltavsky

Research scientist

University of Luxembourg

LUXEMBOURG

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Helene Seiler

Tenure-track Professor

Fritz-Haber-Institut der Max-Planck-Gesellschaft

GERMANY

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Volker Blum

Associate Professor

Duke University

UNITED STATES

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Markus Rampp

GERMANY

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Gustav Bihlmayer

staff scientist

Forschungszentrum Jülich

GERMANY

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Alan Lewis

Lecturer in Digital Chemistry

University of York

UNITED KINGDOM

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Mariana Rossi

Research Interests

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Recent Grants

Articles (20)

Long-Range Machine Learning of Electron Density for Twisted Bilayer Moiré Materials

aims-PAX: Parallel Active Exploration Enables Expedited Construction of Machine Learning Force Fields for Molecules and Materials

Moiré‐Induced Symmetry Breaking of Charge Order in van der Waals Heterostructures

Tip-Enhanced Raman Images of Realistic Systems through Ab Initio Modeling

Investigating anharmonicities in polarization-orientation Raman spectra of acene crystals with machine learning

Learning the Electrostatic Response of the Electron Density through a Symmetry-Adapted Vector Field Model

Hexagonal ice density dependence on interatomic distance changes due to nuclear quantum effects

Vibrational spectra of materials and molecules from partially adiabatic elevated-temperature centroid molecular dynamics

Non-Markovian Effects in Quantum Rate Calculations of Hydrogen Diffusion with Electronic Friction

Electric-Field Driven Nuclear Dynamics of Liquids and Solids from a Multi-Valued Machine-Learned Dipolar Model

Picocavity-Enhanced Raman Spectroscopy of Physisorbed H2 and D2 Molecules

Efficient all-electron hybrid density functionals for atomistic simulations beyond 10 000 atoms

Ab initio electron-lattice downfolding: Potential energy landscapes, anharmonicity, and molecular dynamics in charge density wave materials

Roadmap on methods and software for electronic structure based simulations in chemistry and materials

A Hybrid-Density Functional Theory Study of Intrinsic Point Defects in MX<sub>2</sub> (M = Mo, W; X = S, Se) Monolayers

Atomic-scale perspective on individual thiol-terminated molecules anchored to single S vacancies in MoS2

Impact of nuclear effects on the ultrafast dynamics of an organic/inorganic mixed-dimensional interface

Quantum rates in dissipative systems with spatially varying friction

Roadmap on Data-Centric Materials Science

On the Role of Nuclear Motion in Singlet Exciton Fission: The Case of Single‐Crystal Pentacene

Collaborators (14)

Andrea Grisafi

Alexandre Tkatchenko

Erik van Loon

Christian Carbogno

Paul Kent

Eduard Valeyev

Jan Berges

Luana S. Pedroza

Igor Poltavsky

Helene Seiler

Volker Blum

Markus Rampp

Gustav Bihlmayer

Alan Lewis

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