Publications
============

.. line-block::

	**Vibrational fingerprint of localized excitons in a two-dimensionl metal-organic crystal**  
	M. Corva, A. Ferrari, M. Rinaldi, Z. Feng, M. Roiaz, C. Rameshan, G. Rupprechter, R. Costantini, M. Dell’Angela, G. Pastore, G. Comelli, N. Seriani, E. Vesselli  
	`Nature Communications 9, 4703 (2018) <https://www.nature.com/articles/s41467-018-07190-1>`_

	**Learning from nature: charge transfer and carbon dioxide activation at single, biomimetic Fe sites in tetrapyrroles on graphene**
	M. Corva, F. Mohamed, E. Tomsic, M. Rinaldi, C. Cepek, N. Seriani, M. Peressi, E. Vesselli
	`The Journal of Physical Chemistry C 123, 3916 (2019) <https://pubs.acs.org/doi/abs/10.1021/acs.jpcc.8b11871>`_

	**Performant implementation of the atomic cluster expansion(PACE): Application to copper and silicon**
	Y. Lysogorskiy, C. van der Oord, A. Bochkarev, S. Menon, M. Rinaldi, T. Hammerschmidt, M. Mrovec, A. Thompson, G. Csányi, C. Ortner, R. Drautz
	`npj Computational Materials 7, 97 (2021) <https://www.nature.com/articles/s41524-021-00559-9>`_

	**Determination of spin-wave stiffness in the Fe-Si system using first-principles calculations**
	M. Rinaldi, M. Mrovec, M. Fähnle, R. Drautz 
	`Physical Review B 104, 064413 (2021) <https://journals.aps.org/prb/abstract/10.1103/PhysRevB.104.064413>`_

	**Modeling magnetism from the electronic structure to continuum for iron and its alloys**
	M. Rinaldi 
	`Doctoral Thesis, Ruhr-University Bochum (2023) <https://hss-opus.ub.ruhr-uni-bochum.de/opus4/frontdoor/deliver/index/docId/9684/file/diss.pdf>`_

	**Non-collinear Magnetic Atomic Cluster Expansion for Iron**
	M. Rinaldi, M. Mrovec, A. Bochkarev, Y. Lysogorskiy, R. Drautz
	`npj Computational Materials 10, 1 (2024) <https://www.nature.com/articles/s41524-024-01196-8>`_

	**Charge-constrained atomic cluster expansion**
	M. Rinaldi, A. Bochkarev, Y. Lysogorskiy, R. Drautz 
	`Physical Review Materials 9, 033802 (2025) <https://journals.aps.org/prmaterials/abstract/10.1103/PhysRevMaterials.9.033802>`_

	**Advancing our Understanding of Optoionic Effects for the Design of Solar Batteries: A Theoretical Perspective**
	M. Rinaldi, M. Kick, K. Reuter, C. Carbogno
	`Journal of Physics: Materials 8, 031003 (2025) <https://iopscience.iop.org/article/10.1088/2515-7639/adeaec/meta>`_

	`Dataset paper "M. Rinaldi et al., npj Comput. Mater. 10, 1 (2024) <https://zenodo.org/records/15363836>`_