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Daniele Fontanari

Ingénieur de recherche Expert en calcul scientifique
55%
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11
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  • 244361
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Compétences

molecular modelling hpc computing programming machine learning

Publications

"gdhont"
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Characterization of the Observed Electric Field and Molecular Relaxation Times for Millimeter-Wave Chirped Pulse Instrumentation

Guillaume Dhont , Cédric Bray , Gaël Mouret , A. Cuisset , Francis Hindle
Journal of Infrared, Millimeter and Terahertz Waves, 2020, 41 (8), pp.1009-1021. ⟨10.1007/s10762-020-00716-z⟩
Article dans une revue hal-02932920v1
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Molecules probed with a slow chirped-pulse excitation: Analytical model of the free-induction-decay signal

Daniele Fontanari , Cédric Bray , Guillaume Dhont , Gaël Mouret , A. Cuisset
Physical Review A, 2019, 100 (4), pp.043407. ⟨10.1103/PhysRevA.100.043407⟩
Article dans une revue hal-02322177v1
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Conformational landscape and inertial defect of methoxyphenol isomers studied by mm-wave spectroscopy and quantum chemistry calculations

Atef Jabri , Cédric Bray , Gaël Mouret , Robin Bocquet , A. Cuisset
Journal of Chemical Physics, 2019, 150, pp.104303. ⟨10.1063/1.5089426⟩
Article dans une revue hal-03173780v1

Full Conformational Landscape of 3‐Methoxyphenol Revealed by Room Temperature mm‐wave Rotational Spectroscopy Supported by Quantum Chemical Calculations

Anthony Roucou , Daniele Fontanari , Guillaume Dhont , Atef Jabri , Cédric Bray
ChemPhysChem, 2018, 19 (13), pp.1572-1578. ⟨10.1002/cphc.201800148⟩
Article dans une revue hal-04220467v1

High resolution study of the ν2 and ν5 rovibrational fundamental bands of thionyl chloride: Interplay of an evolutionary algorithm and a line-by-line analysis

Anthony Roucou , Marie-Aline Martin-Drumel , Sven Thorwirth , Daniele Fontanari , W. Leo Meerts
Journal of Chemical Physics, 2017, 147 (5), pp.054303. ⟨10.1063/1.4996655⟩
Article dans une revue hal-04218554v1

Conformational analysis of methoxyphenol isomers using high-resolution spectroscopy and quantum chemistry calculations.

A Roucou , Atef Jabri , Daniele Fontanari , Pierre Asselin , M. Goubet
The XIX Symposium on High Resolution Molecular Spectroscopy, Jul 2019, Nizhny Novgorod, Russia
Communication dans un congrès hal-02397271v1

Modelisation of a gas phase polarization induced by a 200 GHz chirped pulse

Robin Bocquet , Daniele Fontanari , Cédric Bray , Gaël Mouret , A. Cuisset
3rd International Conference “Terahertz and Microwave Radiation: Generation, Detection and Applications” (TERA-2018), Oct 2018, Nizhny Novgorod, Russia. pp.06001, ⟨10.1051/epjconf/201819506001⟩
Communication dans un congrès hal-04524030v1

High resolution study of the nu2 and nu5 rovibrational fundamental bands of thionyl chloride : interplay of an evolutionary algorithm and a line-by-line analysis

Anthony Roucou , Guillaume Dhont , Arnaud Cuisset , Marie-Aline Martin-Drumel , Sven Thorwirth
Thematic doctoral school METAMORPHOSE, May 2018, Louvain -la-Neuve, Belgium
Communication dans un congrès hal-04535401v1

High resolution study of the nu2 and nu5 rovibrational fundamental bands of thionyl chloride : interplay of an evolutionary algorithm and a line-by-line analysis

Anthony Roucou , Guillaume Dhont , Marie-Aline Martin-Drumel , Sven Thorwirth , Daniele Fontanari
International Symposium on Molecular Spectroscopy - 73rd Meeting, Jun 2018, Urbana-champaign, France
Communication dans un congrès hal-04535331v1
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Modelisation of a gas phase polarization induced by a 200 GHz chirped pulse

Robin Bocquet , Daniele Fontanari , C. Bray , A. Cuisset , Guillaume Dhont
3rd International Conference “Terahertz and Microwave Radiation: Generation, Detection and Applications” (TERA-2018), EPJ Web of Conferences, 195, pp.06001, 2018, ⟨10.1051/epjconf/201819506001⟩
Proceedings/Recueil des communications hal-04218568v1