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Peter N. O. Gillespie

  • CNR Post-Doc
  • peter.gillespie@nano.cnr.it
  • Modena
  • +39-3495283236
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Short Bio

Dr Peter Gillespie is a post-doctral researcher at CNR-NANO Modena, having joined in December 2020, in the group of Prof Elisa Molinari. After completing his undergraduate chemistry at the University of East Anglia (UEA), Norwich, UK in 2013 (including a final-year project supervised by Dr Garth Jones) he moved shortly thereafter in October of 2013 to a Masters by Research (MRes) project focused on the analysis of neutron radiation-induced defects in graphene using computational chemical techniques - under the supervision of Prof Malcolm Heggie (now retired) at the University of Surrey, Guildford, UK. After graduating with merit in 2014 he began his PhD research in December of the same year on the theory of charge transfer processes in solar energy materials at the University of Sheffield, Sheffield, UK – under the supervision of Dr Natalia Martsinovich – attaining his PhD in January of 2019.

Research Interests

His main research activities concern the computational chemical simulation of electronic structures and predicted spectroscopic signatures at the level of DFT, with the aim to investigate materials intended for battery and renewable energy technologies. As part of his association with the MaX centre of excellence (Materials design at the eXascale) – specialising in for exaflop-scale computing, such as automation algorithms, data management technologies, and next-generation HPC architectures – his work also concerns the development of automated workflows using the AiiDA platform (https://www.aiida.net/) for both high-throughput DFT calculations intended for chemical analysis of systems of interest as well as producing datasets suitable for training machine learning models.

Selected Recent Projects

Selected Publications

Istituto Nanoscienze 

Consiglio Nazionale delle Ricerche

 

PEC: protocollo.nano@pec.cnr.it

Partita IVA 02118311006

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Pisa NEST

Piazza San Silvestro 12

56127 Pisa, Italy

phone +39 050 509418

fax +39 050 509550

segreteria.nest@nano.cnr.it

Modena S3
via Campi 213/A
41125 Modena, Italy
phone +39 059 2055629
fax +39 059 2055651
segreteria.s3@nano.cnr.it

Istituto Nanoscienze Consiglio Nazionale delle Ricerche

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Pisa NEST

Piazza San Silvestro 12, I
56127 Pisa

phone +39 050 509525/418

fax +39 050 509550

Modena S3

via Campi 213/A, I 

41125 Modena 7

phone +39 059 2055629

fax +39 059 2055651″