Prochaine session d’examen des projets B :
Le 15 mai 2019 pour les projets déposés avant le 30 avril 2019.
news
08/11/2018 : Mise à disposition des outils d’analyse Intel : Vtune Amplifier, Inspector et Advisor.

04/09/2018 : Les nouvelles ressources de calcul (nœuds skylake) sont disponibles depuis juillet 2018. La soumission de jobs sur ces nœuds ainsi que sur les anciens noeuds (westmere, smp, gpu, xphi) passe par l’ordonnanceur slurm. Pour plus d’informations, merci de consulter les tutoriaux.

27/03/2018 : Extension du mesocentre : les travaux d’installation et de confinement des armoires touchent à leur fin.

Travaux meso Travaux mesoTravaux mesoTravaux mesoTravaux meso

13/12/2017 : Ouverture de l’espace HPCboost dédié à la plate-forme de calcul hautes performances pour les simulations numériques « Risques, Sécurité, Sûreté »
publications

Les publications et communications ayant bénéficié des ressources du mésocentre doivent en faire mention par la phrase : « This work was granted access to the HPC resources of Aix-Marseille Université financed by the project Equip@Meso (ANR-10-EQPX-29-01) of the program « Investissements d’Avenir » supervised by the Agence Nationale de la Recherche.»

Publications récentes :

2019

B Favier; J Purseed; L Duchemin

Rayleigh–Bénard convection with a melting boundary

Dans: Journal of Fluid Mechanics, 858 , p. 437–473, 2019.

Liens | BibTeX


2018

Falahati Konstantin; Tamura Hiroyuki; Burghardt Irene; Huix-Rotllant Miquel

Ultrafast carbon monoxide photolysis and heme spin-crossover in myoglobin via nonadiabatic quantum dynamics

2018.

Résumé | Liens | BibTeX

Xiaoliang He; Sourabh Apte; Kai Schneider; Benjamin Kadoch

Angular multiscale statistics of turbulence in a porous bed

Dans: Phys. Rev. Fluids, 3 , p. 084501, 2018.

Liens | BibTeX

S Cabanes; B Favier; M Le Bars

Some statistical properties of three-dimensional zonostrophic turbulence

Dans: Geophysical and Astrophysical Fluid Dynamics, 112 (3), p. 207-221, 2018.

Liens | BibTeX

Sandeep K Reddy; Benjamin Favier; Michael Le Bars

Turbulent Kinematic Dynamos in Ellipsoids Driven by Mechanical Forcing

Dans: Geophysical Research Letters, 45 (4), p. 1741-1750, 2018.

Résumé | Liens | BibTeX

Thomas Le Reun; Benjamin Favier; Michael Le Bars

Parametric instability and wave turbulence driven by tidal excitation of internal waves

Dans: Journal of Fluid Mechanics, 840 , p. 498–529, 2018.

Liens | BibTeX

Yongliang Feng; Muhammad Tayyab; Pierre Boivin

A Lattice-Boltzmann model for low-Mach reactive flows

Dans: Combustion and Flame, 196 , p. 249 - 254, 2018, ISSN: 0010-2180.

Résumé | Liens | BibTeX

Elisa Pieri; Vincent Ledentu; Miquel Huix-Rotllant; Nicolas Ferré

Sampling the protonation states: the pH-dependent UV absorption spectrum of a polypeptide dyad

Dans: Phys. Chem. Chem. Phys., 20 , p. 23252-23261, 2018.

Résumé | Liens | BibTeX

Cristina García-Iriepa; Pauline Gosset; Romain Berraud-Pache; Madjid Zemmouche; Grégory Taupier; Kokou Dodzi Dorkenoo; Pascal Didier; Jérémie Léonard; Nicolas Ferré; Isabelle Navizet

Simulation and Analysis of the Spectroscopic Properties of Oxyluciferin and Its Analogues in Water

Dans: Journal of Chemical Theory and Computation, 14 (4), p. 2117-2126, 2018, (PMID: 29509419).

Résumé | Liens | BibTeX

Grégoire David; Frank Wennmohs; Frank Neese; Nicolas Ferré

Chemical Tuning of Magnetic Exchange Couplings Using Broken-Symmetry Density Functional Theory

Dans: Inorganic Chemistry, 57 (20), p. 12769-12776, 2018.

Résumé | Liens | BibTeX

Transport and Mixing Induced by Beating Cilia in Human Airways

Dans: Frontiers in Physiology, 9 , p. 161, 2018, ISSN: 1664-042X.

Résumé | Liens | BibTeX

Nicolas Cavassilas; Demetrio Logoteta; Youseung Lee; Fabienne Michelini; Michel Lannoo; Marc Bescond; Mathieu Luisier

Dual-Gated WTe2/MoSe2 van der Waals Tandem Solar Cells

Dans: The Journal of Physical Chemistry C, 122 (50), p. 28545-28549, 2018.

Résumé | Liens | BibTeX

Alexis Bottero; Paul Cristini; Dimitri Komatitsch; Quentin Brissaud

Broadband transmission losses and time dispersion maps from time-domain numerical simulations in ocean acoustics

Dans: Journal of the Acoustical Society of America, 144 (3), p. EL222 - EL228, 2018.

Liens | BibTeX

M L M Rocco; M Häming; C E V de Moura; M Barbatti; A B Rocha; A Schöll; E Umbach

High-Resolution Near-Edge X-ray Absorption Fine Structure Study of Condensed Polyacenes

Dans: The Journal of Physical Chemistry C, 122 (50), p. 28692-28701, 2018.

Résumé | Liens | BibTeX

Deniz Tuna; Lasse Spörkel; Mario Barbatti; Walter Thiel

Nonadiabatic dynamics simulations of photoexcited urocanic acid

Dans: Chemical Physics, 515 , p. 521 - 534, 2018, ISSN: 0301-0104, (Ultrafast Photoinduced Processes in Polyatomic Molecules:Electronic Structure, Dynamics and Spectroscopy (Dedicated to Wolfgang Domcke on the occasion of his 70th birthday)).

Résumé | Liens | BibTeX

Pavlo O Dral; Mario Barbatti; Walter Thiel

Nonadiabatic Excited-State Dynamics with Machine Learning

Dans: The Journal of Physical Chemistry Letters, 9 (19), p. 5660-5663, 2018, (PMID: 30200766).

Résumé | Liens | BibTeX

A Mohamadzade; S Bai; M Barbatti; S Ullrich

Intersystem crossing dynamics in singly substituted thiouracil studied by time-resolved photoelectron spectroscopy: Micro-environmental effects due to sulfur position

Dans: Chemical Physics, 515 , p. 572-579, 2018.

Liens | BibTeX

Vanessa C de Medeiros; Railton B de Andrade; Gessenildo P. Rodrigues; Glauco F Bauerfeldt; Elizete Ventura; Mario Barbatti; Silmar A do Monte

Photochemistry of CF3Cl: Quenching of Charged Fragments Is Caused by Nonadiabatic Effects

Dans: Journal of Chemical Theory and Computation, 14 (9), p. 4844-4855, 2018, (PMID: 30080978).

Résumé | Liens | BibTeX

Li-li Jiang; Dan Luo; Xiong Lu; Qin-yong Zhang; Fang-gong Cai; Jun Chen

Comparative Study on Chemical Reduction of Free-standing Flexible GO Films and Their Cyclic Voltammetry Performance

Dans: Colloids and Surfaces A: Physicochemical and Engineering Aspects, 555 , 2018.

Liens | BibTeX

Hans Lischka; Dana Nachtigallová; Adélia J A Aquino; Péter G Szalay; Felix Plasser; Francisco B C Machado; Mario Barbatti

Multireference Approaches for Excited States of Molecules

Dans: Chemical Reviews, 118 (15), p. 7293-7361, 2018, (PMID: 30040389).

Résumé | Liens | BibTeX

Shuming Bai; Mario Barbatti

Mechanism of enhanced triplet decay of thionucleobase by glycosylation and rate-modulating strategies

Dans: Phys. Chem. Chem. Phys., 20 , p. 16428-16436, 2018.

Résumé | Liens | BibTeX

Fábris Kossoski; Mario Barbatti

Nuclear Ensemble Approach with Importance Sampling

Dans: Journal of Chemical Theory and Computation, 14 (6), p. 3173-3183, 2018, (PMID: 29694040).

Résumé | Liens | BibTeX

Rachel Crespo-Otero; Mario Barbatti

Recent Advances and Perspectives on Nonadiabatic Mixed Quantum–Classical Dynamics

Dans: Chemical Reviews, 118 (15), p. 7026-7068, 2018, (PMID: 29767966).

Résumé | Liens | BibTeX

M L M Rocco; M Häming; C E V de Moura; M Barbatti; A B Rocha; A Schöll; E Umbach

High-Resolution Near-Edge X-ray Absorption Fine Structure Study of Condensed Polyacenes

Dans: The Journal of Physical Chemistry C, 122 (50), p. 28692-28701, 2018.

Résumé | Liens | BibTeX

Hans Lischka; Mario Barbatti; Farhan Siddique; Anita Das; Adelia J A Aquino

The effect of hydrogen bonding on the nonadiabatic dynamics of a thymine-water cluster

Dans: Chemical Physics, 515 , p. 472 - 479, 2018, ISSN: 0301-0104, (Ultrafast Photoinduced Processes in Polyatomic Molecules:Electronic Structure, Dynamics and Spectroscopy (Dedicated to Wolfgang Domcke on the occasion of his 70th birthday)).

Résumé | Liens | BibTeX

Konstantin Falahati; Carsten Hamerla; Miquel Huix-Rotllant; Irene Burghardt

Ultrafast photochemistry of free-base porphyrin: a theoretical investigation of B → Q internal conversion mediated by dark states

Dans: Phys. Chem. Chem. Phys., 20 , p. 12483-12492, 2018.

Résumé | Liens | BibTeX

Nicolas Frangieh; Dominique Morvan; Sofiane Meradji; G ACCARY; O Bessonov

Numerical simulation of grassland fires behavior using an implicit physical multiphase model

Dans: Fire Safety Journal, 102 , p. 37-47, 2018.

Liens | BibTeX

Dominique Morvan; Gilbert Accary; Sofiane Meradji; Nicolas Frangieh; Oleg BESSONOV

A 3D physical model to study the behavior of vegetation fires at laboratory scale

Dans: Fire Safety Journal, 101 , p. 39-52, 2018.

Liens | BibTeX



Partenaire du projet  

Equip@Meso

mesocentre-techn@univ-amu.fr

+33 (0)4 13 55 12 15 / 55 03 33

                                     Dernière mise à jour : 1 février 2019