Methodologies of theoretical descriptors (electronic structure, molecular dynamics, coarse graining) using advanced models with low computational cost (rapid computation) and good accuracy (relative accuracy). Modelling of nano materials' structures

Work resulted from research work at University College Dublin funded by EU Horizon 2020. Secondments at University College Dublin in the group of Prof Lorraine Hanlon and Prof Sheila McBreen funded by CompSafeNano. CompSafeNano funded also several stays at HPS with Mia Alexandra Brown and Hillary Scott.

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Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2024-12-31
DOI
https://doi.org/10.5281/zenodo.14582082
Primary Topic
Cancer Genomics and Diagnostics
Type
article
Field-Weighted Citation Impact
0.00
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article

Methodologies of theoretical descriptors (electronic structure, molecular dynamics, coarse graining) using advanced models with low computational cost (rapid computation) and good accuracy (relative accuracy). Modelling of nano materials' structures

Zenodo (CERN European Organization for Nuclear Research)
Cancer Genomics and Diagnostics
article

Methodologies of theoretical descriptors (electronic structure, molecular dynamics, coarse graining) using advanced models with low computational cost (rapid computation) and good accuracy (relative accuracy). Modelling of nano materials' structures

article en

Abstract

Work resulted from research work at University College Dublin funded by EU Horizon 2020. Secondments at University College Dublin in the group of Prof Lorraine Hanlon and Prof Sheila McBreen funded by CompSafeNano. CompSafeNano funded also several stays at HPS with Mia Alexandra Brown and Hillary Scott.

Zenodo (CERN European Organization for Nuclear Research)
University College Dublin (IE)
Industry, innovation and infrastructure
Openalex Percentile: Top 55%
Cancer Genomics and Diagnostics
DOIOpen Access PDFOpenAlex
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Methodologies of theoretical descriptors (electronic structure, molecular dynamics, coarse graining) using advanced models with low computational cost (rapid computation) and good accuracy (relative accuracy). Modelling of nano materials' structures · Zenodo (CERN European Organization for Nuclear Research) (2024) | TGRS Research Map | TGRS