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PreprintCC BY-NC-SA 4.0arXiv

'pySNOW': a Python Suite for the NanO-World

  • Sofia Zinzani
  • Gilberto Nardi
  • Giacomo Becatti
  • Davide Alimonti
  • Letícia F. Basso
  • Kevin Rossi
  • Francesca Baletto
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Abstract

In computational materials science, numerical simulations are indispensable tools for revealing atomic-scale processes. For building blocks of the nanoworld, such as nanoparticles and nanoalloys, atomistic simulations provide detailed insight into their behaviour under diverse conditions. These simulations enable the study of formation and growth mechanisms, transport phenomena, chemophysical stability, and chemical reactions, including catalytic processes. To unravel the complex structure--property relationships that characterise nanoobjects, it is crucial to develop robust and insightful representations of their atomistic structure at global and local scales. Such descriptions enhance our understanding of nanoparticle behaviour and play a key role in guiding their rational design in silico for targeted applications.

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Cite

BibTeXRIS
BibTeX
@misc{zinzani2026pysnow,
  title = {{'pySNOW': a Python Suite for the NanO-World}},
  author = {Sofia Zinzani and Gilberto Nardi and Giacomo Becatti and Davide Alimonti and Letícia F. Basso and Kevin Rossi and Francesca Baletto},
  howpublished = {arXiv},
  year = {2026},
  month = sep,
  doi = {10.48550/arxiv.2609.02492},
  eprint = {2609.02492},
  archivePrefix = {arXiv},
  url = {https://arxiv.org/abs/2609.02492},
  note = {CC BY-NC-SA 4.0},
}
RIS
TY  - UNPB
TI  - 'pySNOW': a Python Suite for the NanO-World
AU  - Sofia Zinzani
AU  - Gilberto Nardi
AU  - Giacomo Becatti
AU  - Davide Alimonti
AU  - Letícia F. Basso
AU  - Kevin Rossi
AU  - Francesca Baletto
PY  - 2026
DA  - 2026/09/02
PB  - arXiv
DO  - 10.48550/arxiv.2609.02492
UR  - https://arxiv.org/abs/2609.02492
AB  - In computational materials science, numerical simulations are indispensable tools for revealing atomic-scale processes. For building blocks of the nanoworld, such as nanoparticles and nanoalloys, atomistic simulations provide detailed insight into their behaviour under diverse conditions. These simulations enable the study of formation and growth mechanisms, transport phenomena, chemophysical stability, and chemical reactions, including catalytic processes. To unravel the complex structure--property relationships that characterise nanoobjects, it is crucial to develop robust and insightful representations of their atomistic structure at global and local scales. Such descriptions enhance our understanding of nanoparticle behaviour and play a key role in guiding their rational design in silico for targeted applications.
ER  -