Publications

Journal Article (4)

2025

Journal Article

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

G. Trenins, M. Rossi

Physical Review Letters 134 (22), 226201 (2025)

MPG.PuRe

DOI

publisher-version

supplementary-material

Journal Article

Picocavity-Enhanced Raman Spectroscopy of Physisorbed H₂ and D₂ Molecules

A. Shiotari, S. Liu, G. Trenins, T. Sugimoto, M. Wolf, M. Rossi, T. Kumagai

Physical Review Letters 134 (20), 206901 (2025)

MPG.PuRe

DOI

publisher-version

supplementary-material

Journal Article

Probing water-electrified electrode interfaces: Insights from Au and Pd

G. M. Arvelos, M. Fernández-Serra, A. Rocha, L. A. Pedroza

The Journal of Chemical Physics 162 (9), 094707 (2025)

MPG.PuRe

DOI

pre-print

Journal Article

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

M. Rossi, K. Rossi, A. M. Lewis, M. Salanne, A. Grisafi

The Journal of Physical Chemistry Letters 16 (9), 2326–2332 (2025)

MPG.PuRe

DOI

pre-print

supplementary-material

Preprint (5)

2025

Preprint

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

L. T. S. de Miranda, M. S. Gomes-Filho, M. Rossi, L. S. Pedroza, A. Rocha

(2025)

MPG.PuRe

pre-print

Preprint

Accurate Machine Learning Interatomic Potentials for Polyacene Molecular Crystals: Application to Single Molecule Host-Guest Systems

B. Gurlek, S. Sharma, P. Lazzaroni, A. Rubio, M. Rossi

(2025)

MPG.PuRe

pre-print

Preprint

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

E. Stocco, C. Carbogno, M. Rossi

(2025)

MPG.PuRe

pre-print

Preprint

Density-Functional Perturbation Theory with Numeric Atom-Centered Orbitals

C. L. Box, R. J. Maurer, H. Shang, M. Scheffler, V. Blum, C. Carbogno, M. Rossi

(2025)

MPG.PuRe

pre-print

Preprint

Polarisation, Born Effective Charges, and Topological Invariants via a Berry-Phase Approach

C. Carbogno, N. Rybin, S. P. Jand, A. Akkoush, C. M. Acosta, Z. Yuan, M. Rossi

(2025)

MPG.PuRe

pre-print