Conditions Extrêmes et Matériaux : Haute Température et Irradiation
CEMHTI - UPR3079 CNRS

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In silico : Modélisation, analyse de données, open data
In Silico : modelling, data analysis, open data

Responsable : Dominique Massiot / List of Publications...

One recent publication...

2020 Maxime Yon, Franck Fayon, Dominique Massiot, Vincent Sarou-Kanian
'Iterative baseline correction algorithm for dead time truncated one-dimensional solid-state MAS NMR spectra'
Solid State NMR 110 101699 (2020) doi:10.1016/j.ssnmr.2020.101699


Open data format for spectroscopic data

The CSDM Core Scientific Dataset Model is a JASON based lightweight and portable model and file format for multi-dimensional scientific data jointly developed by Philip J. Grandinetti & Deepansh J. Srivastava (Ohio State University), Thomas Vosegaard (Aarhus University, Denmark) and Dominique Massiot (University of Orleans CNRS, France). The article describing and exemplifying CSDM has been publised in Plos One in January 2020

The csdmpy python library implements reading and plotting of csdm encoded data with examples.

Reference publication :
Deepansh J.Srivastava, Thomas Vosegaard, Dominique Massiot, Philip J.Grandinetti1
'Core Scientific Dataset Model: A lightweight and portable model and file format for multi-dimensional scientific data'
Plos One, 15 e0225953 (2020)
doi:10.1371/journal.pone.0225953

Software developed @CEMHTI

NMR programs

Dominique Massiot and collaborators
the Dmfit programs enables fitting of solid state (and liquid) NMR spectra, including 1D and 2D spectra

reference article : Massiot et al. Magnetic Resonance in Chemistry, 40 pp70-76 (2002) [ more].
"One of the most cited recent paper in the field of Engineering" ISI July 2003
we thank all "dmfit" users for this achievement


Optical Functions

Domingos de Sousa Meneses and collaborators
Focus is a curve fitting software for the Windows operating system that has been developed to facilitate modelling of optical spectra and data exchange...


Publications des membres | member's publications
Group by   3 records found
ACL

doi HAL 
Maxime Yon, Franck Fayon, Dominique Massiot, Vincent Sarou-Kanian
"Iterative baseline correction algorithm for dead time truncated one-dimensional solid-state MAS NMR spectra"
Solid State NMR 110 101699 2020

ACL

doi HAL 
L.Fédèle, F.Sauvage, S.Gottis, C.Davoisne, E.Salager, J.N.Chotard, M.Becuwe
"2D-layered lithium carboxylate based on biphenyl core as negative electrode for organic lithium-ion batteries."
Chemistry of Materials 29 546-554 2017

ACL

doi HAL 
D.Massiot, F.Fayon, M.Capron, I.King, S.Le Calvé, B.Alonso, J.O.Durand, B.Bujoli, Z.Gan, G.Hoatson
"Modelling one and two-dimensional solid-state NMR spectra."
Magnetic Resonance in Chemistry 40 70-76 2002