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Mesocentre

Publications

 

  • Voici la liste de quelques articles scientifiques publiés grâce au Mésocentre de calcul de Franche-Comté


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Quelques publications en 2014


Water and formic acid aggregates: A molecular dynamics study.

 

D. Vardanega, S. Picaud

 

Article, 2014, DOI=10.1063/1.4894658

First-principles study of the interaction between NO and large carbonaceous clusters modeling the soot surface.

 

C. Garcia-Fernandez, S. Picaud, M.T. Rayez, J.C. Rayez, J. Rubayo-Soneira

 

Article, 2014, DOI=10.1021/jp412217q

Electrosynthesis of Poly(alanine)-Like Peptides in Concentrated Alanine Based Electrolytes, Characterization Coupled to DFT Study and Application to pH Proton Receptor

 

Alhedabi, G. Herlem, H. Cattey, V. Blondeau-Patissier, T. Gharbi

 

Article, 2014, DOI=10.1021/jp507549v

An experimental and theoretical study of the amino acid side chain Raman bands in proteins

 

Sjoberg, B; Foley, S; Cardey, B; Enescu, M.

 

Article, 2014, DOI=10.1016/j.saa.2014.02.080

High level ab initio calculation of the stability of mercury-thiolate complexes

 

Enescu, M; Manceau

 

Article, 2014, DOI=10.1007/s00214-014-1457-x

A principal components analysis of the dynamics of subdomains and binding sites in Human Serum Albumin

 

Paris, G. ; Ramseyer, C ; Enescu, M.

 

Article, 2014, DOI=10.1002/bip.22418

1, 3-Dipolar cycloaddition reactions of indan-1-one enamines across arylnitrile oxides leading to novel cyclic isoxazoline derivatives

 

Hanene Jelizi, Nadia Wannassi, Mohamed El Baker Rammah, Kabula Ciamala, Michael Knorr, Yoann Rousselin, Marek M. Kubicki, Carsten Strohmann, and Mironel Enescu.

 

Article, 2014, DOI=10.1002/jhet.1588

Stand-Alone Three-Dimensional Optical Tweezers Based on Fibred Bowtie Nanoaperture

 

Nyha M. Hameed, Ali El Eter, Thierry Grosjean, Fadi I. Baida

 

Article, 2014, DOI=10.1109/JPHOT.2014.2341011

Fiber-integrated optical nano-tweezer based on a bowtie-aperture nano-antenna at the apex of a SNOM tip

 

Ali El Eter, Nyha M. Hameed, Fadi I. Baida, Roland Salut, Claudine Filiatre, Dusan Nedeljkovic, Elie Atie, Samuel Bole, and Thierry Grosjean

 

Article, 2014, DOI=10.1364/OE.22.010072

Etude comparative des plateformes parallèles pour systèmes multi-agents

 

Rousset, Alban and Herrmann, Benedicte and Lang, Christophe

 

Inproceedings, 2014, DOI=

A survey on parallel and distributed Multi-Agent Systems

 

Rousset, Alban and Herrmann, Benedicte and Lang, Christophe and Philippe, Laurent

 

Inproceedings, 2014, DOI=10.1007/978-3-319-14325-5_32

Gene similarity-based approaches for determining core-genes of chloroplasts

 

B. AlKindy, C. Guyeux, J.-F. Couchot, M. Salomon, and J. M. Bahi

 

Inproceedings, 2014, DOI=10.1109/BIBM.2014.6999130

Finding the Core-Genes of Chloroplasts

 

B. AlKindy, J.-F. Couchot, C. Guyeux, A. Mouly, M. Salomon, and J. M. Bahi

 

Inproceedings, 2014, DOI=10.17706/IJBBB

Experimental and simulation studies of unusual current blockade induced by translocation of small oxidized PEG through a single nanopore

 

S. Cabello-Aguilar, A. Chaaya, F. Picaud, M. Bechelany, C. Pochat-Bohatier, S. Yesylevskyy, S. Kraszewski, M. C. Bechelany, F. Rossignol, E. Balanzat,e J. M. Janot, P. Miele, P. Dejardin and S. Balme

 

Article, 2014, DOI=DOI 10.1039/c4cp01954g

Quantum study of boron nitride nanotubes functionalized with anticancer molecules

 

Eric Duverger, Tijani Gharbi, Eric Delabrousse and Fabien Picaud

 

Article, 2014, DOI=10.1039/C4CP01660B

Supramolecular self-assembly of brominated molecules on a silicon surface

 

Y. Makoudi, M. Beyer, J. Jeannoutot, F. Picaud, F. Palmino and F. Cherioux

 

Article, 2014, DOI=10.1039/C4CC01158A

Dynamic Frequency Scaling for Energy Consumption Reduction in Synchronous Distributed Applications

 

Jean-Claude Charr, Raphaël Couturier, Ahmed Fanfakh, Arnaud Giersch

 

Inproceedings, 2014, DOI=10.1109/ISPA.2014.38

C60 molecules grown on a Si-supported nanoporous supramolecular network: a DFT study

 

K. BOUKARI, E. DUVERGER, R. STEPHAN, M.-C. HANF, P. SONNET

 

Article, 2014, DOI=10.1039/C4CP01677G

A new assisted molecular cycloaddition on boron doped silicon surfaces: a predictive DFT-D study

 

K. BOUKARI, E. DUVERGER, L. STAUFFER, P. SONNET

 

Article, 2014, DOI=10.1039/C4CP00839A

Theoretical study of intermolecular interactions in nanoporous networks on boron doped silicon surface

 

K. BOUKARI; E. DUVERGER; M.-C. HANF; R. STEPHAN, P. SONNET

 

Article, 2014, DOI=10.1016/j.cplett.2014.10.005

Molecular chemisorption on passivated and defective boron doped silicon surfaces: a “forced” dative bond

 

K BOUKARI, E DUVERGER, P SONNET

 

Article, 2014, DOI=10.1039/C4CP03347G

Couplage d’algorithmes d’optimisation par un SMA pour l’exploration distribuée de simulateurs complexes : Application à l’épidémiologie

 

The-Nhan Ho, Nicolas Marilleau, Hong-Quang Nguyen et Jean-Daniel Zucker

 

Inproceedings, 2014, DOI=

Using a Sparse Promoting Method in Linear Programming Approximations to Schedule Parallel Jobs.

 

Chretien, Stephane and Nicod, Jean-Marc and Philippe, Laurent and Rehn-Sonigo, Veronika and Toch, Lamiel

 

Article, 2014, DOI=10.1002/cpe.3350

Prognostic Decision Making to Extend a Platform Useful Life under Service Constraint

 

Nathalie Herr, Jean-Marc Nicod and Christophe Varnier

 

Article, 2014, DOI=10.1109/ICPHM.2014.7036397

Prognostics-based Scheduling in a Distributed Platform : Model, Complexity and Resolution

 

Nathalie Herr, Jean-Marc Nicod and Christophe Varnier

 

Article, 2014, DOI=10.1109/CoASE.2014.6899455

Stability analysis of the spatiotemporal Lugiato-Lefever model for Kerr optical frequency combs in the anomalous and normal dispersion regimes

 

Cyril Godey, Irina V. Balakireva, Aurélien Coillet, and Yanne K. Chembo

 

Article, 2014, DOI=10.1103/PhysRevA.89.063814

A parallel implementation of the Durand-Kerner algorithm for polynomial root-finding on GPU

 

Ghidouche, Kahina and Couturier, Raphael and Sider, Abderrahmane

 

Inproceedings, 2014, DOI=10.1109/INDS.2014.17

 

 

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