en

Département TSN

Theory and Numerical Simulations

Leader: Andrés Saúl

Introduction

The research activity of the Theory and Numerical Simulation (TSN) department is mainly based on theoretical and numerical simulation aspects applied to solid state physics and materials science.

The TSN department, like CINaM laboratory, is interested in multiple classes of materials for energy (materials for nuclear, thermal energy collection or photovoltaic applications, functional concrete), optical applications (nanoparticles, aggregates and nanotubes) and advanced electronics (semiconductors, oxides, heterostructures for spintronics).
These materials are presented in various topological and structural configurations (single crystals, disordered or non-crystalline media, surfaces and interfaces, nanostructures and nanomaterials, aggregates, multilayers, etc.) which sometimes require the development of multi-scale theoretical and numerical approaches.
TSN conducts fundamental research on the structural, chemical, elastic, kinetic, thermodynamic, electronic, optical and magnetic properties of these materials. Our department covers a wide range of research topics, but these can be grouped into three main themes:

In general, the work of the department can be classified into three groups: (i) close collaborations with experimentalists at CINaM or outside, (ii) pure theoretical work and (iii) methodological and numerical development work.
For numerical computing, we use national resources as well as our own computing cluster with more than 2200 cores.

 

Théorie et simulation numérique 1

Publications

2024

Decoupling the influences of chiral damping and Dzyaloshinskii-Moriya interaction in chiral magnetic domain walls

Collins Ashu Akosa, Gen Tatara, Aurélien Manchon, Masahito Mochizuki

Physical Review B 110:024420 (2024)10.1103/PhysRevB.110.024420

Size and shape effects on chemical ordering in Ni–Pt nanoalloys

Pamela Camilos, Céline Varvenne, Christine Mottet

Physical Chemistry Chemical Physics 26:15192-15204 (2024)10.1039/D4CP00979G

Optical spectra of silver clusters and nanoparticles from 4 to 923 atoms from the TDDFT+U method

Mohit Chaudhary, Hans-Christian Weissker

Nature Communications 15:9225 (2024)10.1038/s41467-024-53428-6

Pushing the thickness limit of the giant Rashba effect in ferroelectric semiconductor GeTe

Boris Croes, Alexandre Llopez, Calvin Tagne-Kaegom, Bodry Tegomo Chiogo, Bertrand Kierren, Pierre Müller, Stefano Curiotto, Patrick Le Fèvre, François Bertran, Andrés Saúl, Yannick Fagot-Revurat, Frédéric Leroy, Fabien Cheynis

Nano Letters (2024)10.1021/acs.nanolett.4c03281

Sampling-free computation of finite temperature material properties in isochoric and isobaric ensembles using the mean-field anharmonic bond model

Raynol Dsouza, Marvin Poul, Liam Huber, Thomas Swinburne, Jörg Neugebauer

Physical Review B 109:064108 (2024)10.1103/PhysRevB.109.064108

Insights on the capabilities and improvement ability of classical many-body potentials: Application to α -zirconium

Alessandra del Masto, Jean Baccou, Guy Tréglia, Fabienne Ribeiro, Céline Varvenne

Computational Materials Science 231:112544 (2024)10.1016/j.commatsci.2023.112544

Non-relativistic torque and Edelstein effect in non-collinear magnets

Rafael González-Hernández, Philipp Ritzinger, Karel Výborný, Jakub Železný, Aurélien Manchon

Nature Communications 15:7663 (2024)10.1038/s41467-024-51565-6

Tunable second harmonic generation in 2D materials: comparison of different strategies

Simone Grillo, Elena Cannuccia, Maurizia Palummo, Olivia Pulci, Claudio Attaccalite

SciPost Physics Core 7:081 (2024)10.21468/SciPostPhysCore.7.4.081

Pressure and temperature diagram of C60 from atomistic simulations

Karim Hakim, Romain Dupuis, Christophe Bichara, R.-J.-M. Pellenq

The Journal of Chemical Physics 161 (2024)10.1063/5.0213022

DFT study on Mo-stabilized passive films: Hydroxylation effects on chromium and iron oxide surfaces

Xian Huang, Dominique Costa, Boubakar Diawara, Vincent Maurice, Philippe Marcus

Corrosion Science 233:112105 (2024)10.1016/j.corsci.2024.112105

Quantifying the large contribution from orbital Rashba–Edelstein effect to the effective damping-like torque on magnetization

S. Krishnia, B. Bony, E. Rongione, L. Moreno Vicente-Arche, T. Denneulin, A. Pezo, Y. Lu, R. Dunin-Borkowski, S. Collin, A. Fert, J.-M. George, N. Reyren, V. Cros, H. Jaffrès

APL Materials 12 (2024)10.1063/5.0198970

Optimal CO2 intake in metastable water film in mesoporous materials

Gen Li, Yong Tao, Xinping Zhu, Yining Gao, Peiliang Shen, Binbin Yin, Romain Dupuis, Katerina Ioannidou, Roland J.-M. Pellenq, Chi Sun Poon

Nature Communications 15:10790 (2024)10.1038/s41467-024-55125-w

Reconfigurable spin current transmission and magnon–magnon coupling in hybrid ferrimagnetic insulators

Yan Li, Zhitao Zhang, Chen Liu, Dongxing Zheng, Bin Fang, Chenhui Zhang, Aitian Chen, Yinchang Ma, Chunmei Wang, Haoliang Liu, Ka Shen, Aurélien Manchon, John Xiao, Ziqiang Qiu, Can-Ming Hu, Xixiang Zhang

Nature Communications 15:2234 (2024)10.1038/s41467-024-46330-8

Crystal Symmetry-Dependent In-Plane Hall Effect

Liang Liu, Armando Pezo, Diego García Ovalle, Chenghang Zhou, Qia Shen, Hongliang Chen, Tieyang Zhao, Weinan Lin, Lanxin Jia, Qihan Zhang, Hengan Zhou, Yumeng Yang, Aurélien Manchon, Jingsheng Chen

Nano Letters 24:733-740 (2024)10.1021/acs.nanolett.3c04242

Van der Waals epitaxy of Weyl-semimetal Td-WTe2

Alexandre Llopez, Frédéric Leroy, Calvin Tagne-Kaegom, Boris Croes, Adrien Michon, Chiara Mastropasqua, Mohamed Al Khalfioui, Stefano Curiotto, Pierre Müller, Andrés Saúl, Bertrand Kierren, Geoffroy Kremer, Patrick Le Fèvre, François Bertran, Yannick Fagot-Revurat, Fabien Cheynis

ACS Applied Materials & Interfaces 16:20878-20885 (2024)10.1021/acsami.4c00676

Magnetic structure of a multiferroic compound: Cu2OCl2

Julien Lévêque, Elisa Rebolini, Andrés Saúl, Marie-Bernadette Lepetit

Faraday Discussions 254:612-627 (2024)10.1039/D4FD00042K

Why the pyrochlore-like antiferromagnet NaCu3F7 is magnetically non-frustrated

Julien Lévêque, Elisa Rebolini, Marie-Bernadette Lepetit, Andrés Saúl

Journal of Physics: Condensed Matter 36:415803 (2024)10.1088/1361-648X/ad5d39

Charge pumping with strong spin-orbit coupling: Fermi surface breathing, Berry curvature, and higher harmonic generation

Aurélien Manchon, Armando Pezo

Physical Review B 109:184409 (2024)10.1103/PhysRevB.109.184409

Spin current leakage and Onsager reciprocity in interfacial spin-charge interconversion

Aurélien Manchon, Shuyuan Shi, Hyunsoo Yang

Physical Review B 109:094424 (2024)10.1103/PhysRevB.109.094424

Orbital Kerr effect and terahertz detection via the nonlinear Hall effect

Diego García Ovalle, Armando Pezo, Aurélien Manchon

Physical Review B 110:094439 (2024)10.1103/PhysRevB.110.094439

Keldysh theory of thermal transport in multiband Hamiltonians

Luqman Saleem, Udo Schwingenschlögl, Aurélien Manchon

Physical Review B 109:134415 (2024)10.1103/PhysRevB.109.134415

Observation of a Higher‐Order End Topological Insulator in a Real Projective Lattice

Ce Shang, Shuo Liu, Caigui Jiang, Ruiwen Shao, Xiaoning Zang, Ching Hua Lee, Ronny Thomale, Aurélien Manchon, Tie Jun Cui, Udo Schwingenschlögl

Advanced Science 11:2303222 (2024)10.1002/advs.202303222

Impact of magnon interactions on transport in honeycomb antiferromagnets

Konstantinos Sourounis, Aurélien Manchon

Physical Review B 110:054429 (2024)10.1103/PhysRevB.110.054429

Optical Properties of AgAu Alloy Clusters: Effect of Chemical Configuration along a Rearrangement Pathway

Hans-Christian Weissker, Florent Calvo

Alloys 3:31-42 (2024)10.3390/alloys3010003

Manipulation of perpendicular magnetization via magnon current with tilted polarization

Dongxing Zheng, Yan Li, Chen Liu, Jin Lan, Chao Jin, Qingxiao Wang, Linxing Zhang, Guoqiang Xi, Bin Fang, Chenhui Zhang, Hanin Algaidi, Aitian Chen, Xiang Liu, Gen Yin, Zijian Xu, John Xiao, Aurélien Manchon, Xixiang Zhang

Matter 7:3489-3499 (2024)10.1016/j.matt.2024.05.045

Collective molecular-scale carbonation path in aqueous solutions with sufficient structural sampling: From CO2 to CaCO3

Xinping Zhu, Romain Dupuis, Roland J.-M. Pellenq, Katerina Ioannidou

The Journal of Chemical Physics 161:184502 (2024)10.1063/5.0228805

Topological band engineering and tunable thermal Hall effect in trimerized Lieb lattice ferromagnets

Fengjun Zhuo, Jian Kang, Zhenxiang Cheng, Aurélien Manchon

Physical Review B 109:054412 (2024)10.1103/PhysRevB.109.054412

2023

Swinging Crystal Edge of Growing Carbon Nanotubes

Georg Daniel Förster, Vladimir Pimonov, Huy-Nam Tran, Saïd Tahir, Vincent Jourdain, Christophe Bichara

ACS Nano 17:7135-7144 (2023)10.1021/acsnano.2c07388

Replica-Exchange Molecular Dynamics Simulation of the Natural Evolution of a Model Type I Kerogen

Jean-Marc Leyssale, Pierre-Louis Valdenaire, Kevin Potier, Roland J.-M. Pellenq

Energy & Fuels 37:14811-14823 (2023)10.1021/acs.energyfuels.3c02055

ZnSe and ZnTe as tunnel barriers for Fe-based spin valves

Gokaran Shukla, Hasan M Abdullah, Avijeet Ray, Shubham Tyagi, Aurélien Manchon, Stefano Sanvito, Udo Schwingenschlögl

Physical Chemistry Chemical Physics 25:13533-13541 (2023)10.1039/D3CP00833A

Seminars

Pasts

  • A quick dive in the grain boundary universe

    Carolina Baruffi (École Polytechinique Fédérale de Lausanne), 24 Octobre 2022, 11h Salle Kern.

  • Functional Materials by Desing : Developing Treasure Maps with Quantum Chemistry

    M. Wuttig (RWTH Aachen University of Technology, Germany), 6 Octobre 2022, 11h Salle Kern.

  • Mobility of gated TMDs as a function of valley profile

    Thibaut Sohier (Laboratoire Charles Coulomb (L2C), 16 Septembre 2022, 11h Salle Kern.

  • Amorphous 2D Materials for Applications in Nanoelectronics and Neuromorphic Computing

    Stéphane Roche (ICN2, Barcelone) 16 juin 2022, 14h Salle Kern

  • Growth kinetics of individual carbon nanotubes studied by in situ optical microscopy

    Vladimir PIMONOV 15 Decembre 2021.

  • The Physics Surrounding the Intrinsic Nonlinear Hall Effect

    Diego Garcia Ovalle (CINaM) 30 juin 2022, (online)

  • Vacancy mediated formation of the omega phase in bcc Ti and Zr metals through ab initio calculations

    Sally Issa (CINaM) 30 juin 2022, (online)

  • In search of High temperature multiferroics

    Julien Leveque (CINaM) 22 juin 2022, (online)

  • Apprentissage statistique pour la détermination de l'indice chiral des nanotubes de carbone dans les images HRTEM

    Daniel FÖRSTER (CINaM ), 25 février 2020, 10h30 salle R2

  • Time-dependent transport in nanosystems interacting with light

    Fabienne MICHELINI (IM2NP, Aix-Marseille Université), 28 janvier 2020

  • Transition d'échelle entre fibre végétale et composite UD : propagation de la variabilité et des non-linéarités

    Alessandra Del Masto(IRSN / CINaM ), 28 janvier 2020

  • Ab initio study of photo-responsive metal-organic frameworks for an efficient carbon capture

    Kshirsagar Aseem Rajan (CNRS / SIMaP Grenoble ), 21 janvier 2020

  • Phase Change Materials : Characterisation and implications of "Metavalent" Bondinghe intrinsic dimension of the data and its use

    J.Y. Raty (Université de Liège ), 2 décembre 2019

  • (Bio)chemical reactions across soft fluctuating surfaces: from statistical mechanics to cell biology and back

    K. Sengupta (CINaM), 22 octobre 2019

  • Local yield stress statistics in model amorphous solids

    S. Patinet (PMMH, ESPCI Paris), 11 septembre 2019

  • On the origin of line-tension in the core of a dislocation

    M. Boleininger (Culham Centre for Fusion Energy, UK) , 9 septembre 2019

  • Nanostructured materials for optoelectronics

    B. Sciacca (CINaM), 25 juin 2019

  • Floating catalyst chemical vapor deposition (FC-CVD) synthesis of conductive SWNT thin films for flexible electronics applications

    Esko I. Kauppinen (Aalto University School of Science, Department of Applied Physics, Finlande), 5 mai 2019

  • Solid/Liquid Interfaces: Structure, dynamics and spectroscopy

    Marialore Sulpizi (Johannes Gutenberg University Mainz, Germany), 23 avril 2019

  • Theoretical spectroscopy for solids

    Arjan Berger (Laboratoire de Chimie et Physique Quantiques, Université Paul Sabatier, Toulouse), 12 avril 2019

  • Spin-Orbit Physics at Magnetic Interfaces

    Aurelien Manchon (King Abdullah University of Science and Technology -KAUST-, Saudi Arabia), 10 avril 2019

  • Durée de vie du phonon et propriétés thermiques dans le graphène irradié : un traitement exact du désordre

    Georges Bouzerar (Institut Lumière Matière, Université Lyon 1), 9 avril 2019

  • Hydrogène, surfaces, nano et micro-vides dans les matériaux pour la fusion nucléaire: Etude DFT, modèles thermodynamiques, comportement macroscopique

    Yves Ferro (PIIM, Marseille), 20 mars 2019

  • The silver route to high-Tc superconductivity

    José Lorenzana (Istituto dei Sistemi Complessi, CNR, La Sapienza, Roma), 19 mars 2019

  • Zwitterionic Quinones : an Unprecedented Class of Coupled Polymethines

    Simon Pascal (CINaM), 26 février 2019

  • Synthèse d’une bicouche de silice pour la modélisation de zéolithes - Etude des défauts de la surface de Cu2O(100)

    Héloïse Tissot (CINaM), 19 février 2019

  • Ab-initio methods for electronic spectroscopy : Applications to bulk and layered semiconductors

    Lorenzo Sponza (LEM, Onera-CNRS, Châtillon), 5 février 2019

  • Stratégies autonomes, guidées par une incertitude quantifiée, pour la construction de modèles mésoscopiques à partir des simulations atomiques

    Tom Swinburne (CINaM), 22 janvier 2019

  • Soutenance de thèse : Modélisation de nanoalliages à base de Pt : Co-Pt, système emblématique de l’ordre, et Pt-Ag, système hybride entre ordre et démixtion

    Alexis Front (CINaM), 20 décembre 2018

  • Modélisation à l’échelle atomique du système Fe-Al-Mn-C à l’aide de modèles de paires et de calculs thermodynamiques

    Rémy Besson (UMET, Université de Lille, Villeneuve d’Ascq), 18 décembre 2018

  • Soutenance de thèse : Caractérisation de l’ordre chimique interstitiel des hydrures de zirconium à l’aide d’un modèle d’Ising effectif dérivé des liaisons fortes

    Paul Eymeoud (CINaM), 17 décembre 2018

  • Simulation of fast and ultrafast structural changes in solids and biomolecules upon interaction with light

    Martin Garcia (Universität Kassel, Germany), 4 décembre 2018

  • Spectroscopie Raman des polymères de coordination Nickel/quinone

    Romain Parret (CINaM), 6 novembre 2018

  • Advanced engineering materials with tailored functionality at the nanoscale : Insights from computer simulations & nanoscale experiments

    Christian Brandl (KIT, Karlsruhe, Germany), 6 septembre 2018

  • Surface energies of bimetallic nanoparticles : size and composition effects

    Hakim Amara (LEM, CNRS-Onera, Châtillon), 19 juin 2018

  • Virgin martensite in Fe-Ni-C alloys : low-temperature and spinodal decomposition

    Philippe Maugis (IM2MP, Marseille), 12 juin 2018

  • Computational study of free and oxyde-supported Au-Rh and Pd-Ir nanocatalysts

    Roy L. Johnston (University of Birmingham, UK ), 5 juin 2018

  • Spectroscopie théorique d’agrégats de métaux nobles (soutenance HDR)

    Hans-Christian Weissker (CINaM), 4 juin 2018

  • Utilisation des méthodes de champs de phases en métallurgie physique

    Héléna Zapolsky (GPM, Rouen), 30 mai 2018

  • Étude thermodynamique et mécanique des alliages à haute entropie basés sur le système CoCrFeMnNi

    Guillaume Bracq (ICMPE, Thiais), 4 mai 2018

  • Aller ou non vers l’équilibre dans les nano-alliages ?

    Pascal Andréazza (ICMN, Orléans), 19 avril 2018

  • Modeling of plasma surface interactions

    Ning Ning (PIIM, Marseille), 9 avril 2018

  • The importance of geometry to predicting properties of metallic nanoparticles

    Francesca Baletto (King’s College, London, England), 26 mars 2018

  • Descriptions Théoriques des Structures Electroniques

    Vincent Robert (Laboratoire de Chimie Quantique, Strasbourg), 23 mars 2018

  • Invisible excitations in hexagonal boron nitride

    Claudio Attaccalite (CINaM), 20 février 2018

  • Soutenance de thèse : "Propriétés optiques d’agrégats de métaux nobles"

    Rajarshi Sinha Roy (CINaM), 19 janvier 2018

  • Size effects in physically prepared metal nanoparticles

    Matthias Hillenkamp (Institut Lumière Matière, Université Claude Bernard Lyon 1), 18 janvier 2018

Financement

Institutions providing financial support

Centre National de la Recherche ScientifiqueAgence Nationale de la RechercheUnion Européene

Non exhaustive list of our scientific grants
  • ANR DAPREDIS (2024-2028)

    Data-driven prediction of dislocation plasticity
    T. Swinburne

  • European Innovative Council (EIC Pathfinder Open) OBELIX (2024-2028)

    Orbitronics for Innovative Electronics.
    A. Manchon (PI), A. Saul

  • ANR NEXT (2024-2027)

    Magnetic exchange in 2D materials.
    A. Manchon

  • Aix-Marseille Institut d’Excellence program FRICTION (2024-2027)

    Ferroelectric Rashba semiconductors for spin orbitronics.
    A. Manchon, A. Saul, F. Cheynis (PI)

  • Aix-Marseille Institut d’Excellence program INDIGENA (2024-2027)

    Interfacial Design of Optical High-Harmonic Generation
    A. Manchon (Co-PI), C. Attacalitte, F. Leroy (Co-PI), F. Cheynis (Co-PI)

  • Ministry of Higher Education and Research (MESRI) PEPR SPIN (2023-2029)

    Interfacial Design of Optical High-Harmonic Generation
    A. Manchon, V. Cros (Co-PI), L. Prejbeanu (Co-PI)

  • ANR HEBUTERNE(2023-2027)

    Helium bubble formation in tungsten: from nanoscience understanding to macroscale impact
    T. Swinburne Elodie BERNARD (PI), Fred Leroy.

  • ANR COLIBRI (2023-2026)

    CorreLated photoemIssion spectra from the three-body Green’s functIon
    C. Attaccalite

  • ANR YOSEMITE (2023-2026)

    High entropy alloys nanoparticles for unique mechanical properties
    C. Varvenne, T. Swinburne, C. Mottet

  • ANR Superzic (2023-2026)

    Super réseau sur graphène induit par auto-assemblage de zwitterions
    A. Manchon

  • CRG (2022-2025)

    Synthetic topological matter in electric circuit networks
    A. Manchon

  • FLAG-ERA MNEMOSYN (Graphene Flagship) (2022-2025)

    2D MagNEtic meMOries: Scalable growth and hYbrid electrical operatioN
    A. Manchon

  • ANR SCHNAPSS (2021-2026)

    Single NanoAlloy Particle Structure and Spectroscopy
    H. Weissker

  • ANR SOHYPE (2021-2024)

    Systèmes Optiques HYbrides Pilotés Electriquement
    R. Parret, C. Attaccalite, V. Tishkova

  • ANR DARWIN (2021-2024)

    Boosting the chiral selectivity of nanotube growth by directed evolution
    C. Bichara

  • ANR ORION (2020-2025)

    Orbitronique des structures non-centrosymmetriques
    A. Manchon, A. Saul

  • A*Midex (2020-2023)

    Realistic quantum transport simulations for disruptive nanoelectronics
    A. Manchon

  • ANR MeMoPas (2020-2023)

    Mesoscale models from massively parallel atomistic simulations: uncertainty driven, self-optimizing strategies for crystalline materials
    T. Swinburne, C. Varevenne, C. Mottet, G. Treglia

  • ANR HTHPCM (2020-2023)

    High-temperature & high-polarization cuprate multiferroics
    A. Saul, A. Zappelli

  • ANR GIANT (2019-2022)

    Sélectivité durant la croissance et application des nanotubes de carbone monoparoi
    C. Bichara

  • ANR CoCoA (2019-2022)

    Controlled Computation of Point Defect Characteristics in High Entropy Alloys
    C. Varvenne, G. Tréglia

  • ANCRE PotEmQuIn (2019-2020)

    Potentiels semi-empiriques avec quantification d'incertitudes
    F. Ribeiro, G. Treglia, C. Varvenne

  • Accord spécifique de collaboration IRSN/CINaM (2018-2020)

    Vieillissement des aciers austénitiques: modélisation atomistique de la ségrégation cinétique
    G. Tréglia

  • ANR SESAME (2016-2019)

    Impact of SizE and StrAin on crystallization of chalcogenides for the ultimate scaling of phase change Memories
    C. Bichara

  •  Projet NEEDS-CNRS (Nucleaire, Energie,  Environnement, Dechets et Societe). (2016–2017)

    Cement Radiolysis : reaction mechanisms.
    A. Saul, S. Le Caer (PI).

  • Accord spécifique de collaboration IRSN/CINaM (2015-2018)

    Modélisation atomistique de la fragilisation des gainages combustibles nucléaires par les hydrures
    G. Tréglia

  • ANR FIT SPRINGS (2014-2017)

    Des Transitions Individuelles aux Résonances Plasmon de Surface dans les Agrégats d'Or et d'Argent 
    H. Weissker

  • ANR SYNAPSE (2014-2017)

    Synthèse de nanotubes à propriétés spécifiques
    C. Bichara

  • Projet Européen (2013–2018)

    Graphene Flagship
    C. Bichara, C. Attaccalite

  • ANR SIZHYP (2013–2018)

    Influence de la contrainte appliquée sur la précipitation des hydrures de zirconium
    G. Tréglia

  • Projet Européen IRENA (2013–2017)

    Indium REplaced by carbon Nanotube thin films
    C . Bichara

  • ANR TEAM (2012-2015)

    New functionalities of tellurium based amorphous materials 
    C. Bichara

  • Accord spécifique de collaboration IRSN/CNRS et Bourse Doctorale Région PACA/entreprise (2011-2014)

    Fragilisation des gainages combustibles nucléaires par les hydrures : études par des approches atomistiques
    G. Tréglia

  • ANR SOS Nanotubes (2010-2013)

    Selective and Optimized Synthesis of Nanotubes
    C. Bichara

  • ANR SimNanA (2009-2011)

    Simulations numériques de Nanoalliages ou Alliages bimétalliques de dimension réduite : des surfaces aux agrégats
    C. Mottet

  • Convention de partenariat, contrat de thèse IRSN/CNRS-CINAM/AREVA (2009-2015)

    Comportement des bulles de gaz intragranulaire dans les combustibles UO2: modélisation par des approches semi-empiriques
    G. Tréglia

  • ANR SUD (2009 - 2011)

    Spintronique à Une Dimension
    A. Saul, M. Viret (PI)

  • ANR (2009 - 2011)

    Dewetting of solid film
    A. Saul, G. Trèglia, F. Leroy (PI)

  • PICS with Universidad de San Martin (Argentine) (2009 - 2011)

    Structure, magnetic and electronic properties of transition metals and their oxides
    A. Saul

  • ANR SODELOS (2008-2011)

    Simulation et optimisation d’electrolytes organiques pour supercondensateurs 
    R. Pellenq

  • ANR (2006 - 2008)

    Atomistic simulation of the SiGe system
    G. Trèglia, A. Saul, P. Pochet (PI)

  • ANR OSiGe_SIM (2006 - 2008)

    Self ordering of epitaxial films
    A. Saul, O. Pierre-Louis (PI)

  • Université de la Méditerranée. (2004 - 2007)

    Structure, morphology and magnetism of low dimensional systems
    Andres Saul

  • PICS with Argentine Atomic Energy Commission (2004 - 2006)

    Structure, morphology and magnetism of low dimensional systems
    A. Saul, Hugues Dreysse (PI)

  • ECOS-SECYT with Argentine Atomic Energy Commission (2004 - 2006)

    Structure, magnetic and electronic properties of bimetallic nanostructures
    A. Saul

  • European Program FORUM-FIB (2001 -2003)

    Fabrication of SiGe based memory
    A. Saul, I. Berbezier (PI)

  • ECOS-SECYT with Instituto Balseiro (Bariloche, Argentine) (1998 - 2001)

    Study of the morphology and electronic structure of metallic and semiconducting surfaces
    A. Saul, G. Treglia

  • CNRS-CONICET with the Argentine Atomic Energy Commission (1998 - 2000)

    Self-diffusion on the Si(100) surface
    A. Saul

Facilities

Théorie et simulation numérique 3

Scientific computing center

The department owns a computer cluster hosted in a shared room of the Aix-Marseille University at the Luminy campus. This computing resource can be used by any person of CINaM and it is also open to our collaborators outside the lab.

Nearly 2300 computing cores distributed over 100 machines are available to run scientific codes in sequential or parallel mode.

The codes are developed internally or use reference codes in our areas of predilection.

 

Collaborations

CINaM

France

Italy

Spain

Belgium

Germany

Luxembourg

  • Ludger Wirtz  (University of Luxembourg)

Switzeland

United Kingdom

Australia

Japan

Finland

Singapore

Thailand

  • Dr Stéphan DUBAS (Polymer Science group, The Petroleum and Petrochemical College Chulalongkorn University, Bangkok)

Tunisia

  • Adnène Dhouib, Myriam Sansa, Abdelhay Zaïr (Université de Tunis)
  • Moncef Said (Laboratoire de la Matière Condensée et Nanosciences, Faculté des Sciences de Monastir)

Saudi Arabia

Israel

  • Eugene Rabkin (Technion, Haifa)

Canada

United States

Scientific Networks

Groupements De Recherche

Divers

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