Preprint (7)

2025
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
2024
Preprint
Non-Markovian Effects in Quantum Rate Calculations of Hydrogen Diffusion with Electronic Friction
G. Trenins, M. Rossi
(2024)
MPG.PuRe
pre-print
Preprint
Frontier orbitals control dynamical disorder in molecular semiconductors
A. Neef, S. Hammer, Y. Yao, S. Sharma, S. Beaulieu, S. Dong, T. Pincelli, M. Frank, M. Wolf, M. Rossi, H. Oberhofer, L. Rettig, J. Pflaum, R. Ernstorfer
(2024)
MPG.PuRe
pre-print
Preprint
Picocavity-enhanced Raman spectroscopy of physisorbed H2 and D2 molecules
A. Shiotari, S. Liu, G. Trenins, T. Sugimoto, M. Wolf, M. Rossi, T. Kumagai
(2024)
MPG.PuRe
pre-print
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