Andres Saul

Axe

Théorie et Simulation Numérique

E-mail

saul@cinam.univ-mrs.fr

Phone

+33(0)6 62 92 28 88

Fax

+33(0)4 91 41 89 16

Localisation

R1

Grade

DR1

Fonction

chercheur

saul.jpg

Activité

Quantum and Classical computer simulations. Surface Physics. Electronic and Magnetic Properties.

Thèmes

Expertise and principal research interests

Topics

  • Surface physics : Reconstruction and phase transitions. Surface alloys and alloy surfaces. Surface segregation, kinetics and equilibrium properties. Elastic properties. Surface stress and surface energy.
  • Metallic nanowires : Quantum transport.
  • Magnetic and electronic properties of oxydes : Effective exchange interactions. Magnetic anisotropy.

Methods

  • Quantum and classical computer simulation in statistical mechanics.
  • Electronic structure calculations in condensed matter.
  • Density functional theory and semi-empirical (tight-binding) electronic structure methods.
  • All electron linearized augmented planewave method.
  • Semi-empirical interatomic potentials.
  • Classical molecular dynamics and Monte Carlo methods.
  • Computational and numerical methods in general.

Degrees

Appointments

  • Senior Research Associate (Directeur de Recherche 1, CNRS). October 2017 to present.
  • Visiting Research Scientist UMI CNRS-Civil and Environmental Engineering (MIT). September 2013 to August 2015.
  • Senior Research Associate (Directeur de Recherche 2, CNRS). October 2004 to September 2017.
  • Research Associate (Chargé de Recherche, CNRS). October 1994 to September 2004.
  • Research Associate (Chercheur associé, CNRS). April 1994 to September 1994.
  • Collaborateur Temporaire Etranger Service de Recherche en Métallurgie Physique, Centre d'Etudes Nucléaires de Saclay. October 1992 to Mars 1994.
  • Visiting researcher IBM T. J. Watson Research Center, Yorktown Heights, U.S.A. January to March 1992.
  • Research Fellow (Investigador Residente) Computer Research and Advanced Application Group, IBM Argentina. Mars 1991 to September 1992.
  • Technical Assistant (ITA) Low Temperatures Laboratory. Physics Departement, Facultad des Ciencias Fisicas y Naturales. Universidad de Buenos Aires. July 1983 to March 1987
  • Teaching Assistant Physics Laboratory. Escuela Técnica ORT. March 1981 to June 1983.
  • Technical Assistant (ITA) Instrumentation Laboratory. Electronics Department. Facultad de Ingenieria, Universidad de Buenos Aires. March 1980 to December 1980.

Teaching experience

Graduate Level

  • Numerical simulations in Material Science Département de Physique, Université de la Méditerranée.
  • Numerical Methods in Solids State Physics : electronic properties Département de Physique, Universités d'Aix-Marseille.
  • Solid State Physics Département de Physique, Universités d'Aix-Marseille.
  • Density Functional Theory Département de Physique, Universités d'Aix-Marseille.

Undegraduate Level

  • Electricity and Magnetism Departamento de Fisica, Facultad de Ciencias Exactas y Naturales - Universidad de Buenos Aires.
  • Fluids Mechanics Departamento de Fisica, Facultad de Ciencias Exactas y Naturales - Universidad de Buenos Aires.
  • Quantum Mechanic Departamento de Fisica, Facultad de Ciencias Exactas y Naturales - Universidad de Buenos Aires.
  • Solid State Physics Departamento de Fisica, Facultad de Ciencias Exactas y Naturales - Universidad de Buenos Aires.

High School Level

  • Laboratory work Escuela Técnica O.R.T (Buenos Aires, Argentina).

Other

  • Monte Carlo Simulations Ecole d'été d'Analyse Numérique organisée par EDF-CEA-INRIA (Le Bréau, France).

More

  • Full list of publications and more information can be found in the Curriculum Vitae

Publications

2020

Magnetoelastic interaction in the two-dimensional magnetic material MnPS3 studied by first principles calculations and Raman experiments

Diana Vaclavkova, Alex Delhomme, Clément Faugeras, Marek Potemski, Aleksander Bogucki, Jan Suffczynski, Piotr Kossacki, Andrew Wildes, Benoît Grémaud, Andrés Saúl

2D Materials (2020)10.1088/2053-1583/ab93e3

2019

Influence of halogen substitution on aggregation-induced near infrared emission of borondifluoride complexes of 2′-hydroxychalcones

Anthony D’aléo, Andrés Saúl, Claudio Attaccalite, Frédéric Fages

Materials Chemistry Frontiers 3:86-92 (2019)10.1039/c8qm00478a

Influence of confinement on free radical chemistry in layered nanostructures

Khashayar Ghandi, Cody Landry, Tait Du, Maxime Lainé, Andrés Saúl, Sophie Le Caër

Scientific Reports 9:17165 (2019)10.1038/s41598-019-52662-z

2018

Unconventional field induced phases in a quantum magnet formed by free radical tetramers

Andrés Saúl, Nicolas Gauthier, Reza Moosavi Askari, Michel Côté, Thierry Maris, Christian Reber, Anthony Lannes, Dominique Luneau, Michael Nicklas, Joseph Law, Elizabeth Lauren Green, Jochen Wosnitza, Andrea Bianchi, Adrian Feiguin

Physical Review B: Condensed Matter and Materials Physics 97 (2018)10.1103/physrevb.97.064414

2017

Gene expression profiling of patient‐derived pancreatic cancer xenografts predicts sensitivity to the BET bromodomain inhibitor JQ1: implications for individualized medicine efforts

Benjamin Bian, Martin Bigonnet, Odile Gayet, Céline Loncle, Aurélie Maignan, Marine Gilabert, Vincent Moutardier, Stéphane Garcia, Olivier Turrini, Jean-Robert Delpero, Marc Giovannini, Philippe Grandval, Mohamed Gasmi, Mehdi Ouaissi, Véronique Secq, Flora Poizat, Rémy Nicolle, Yuna Blum, Laetitia Marisa, Marion Rubis, Jean-Luc Raoul, James Bradner, Jun Qi, Gwen Lomberk, Raul Urrutia, Andres Saúl, Nelson Dusetti, Juan Iovanna

EMBO Molecular Medicine 9:482-497 (2017)10.15252/emmm.201606975

Piezomagnetism and magnetoelastic memory in uranium dioxide

M. Jaime, A. Saul, M. Salamon, V. Zapf, N. Harrison, T. Durakiewicz, J. Lashley, Daniel Andersson, C. Stanek, J. Smith, K. Gofryk

Nature Communications 8 (2017)10.1038/s41467-017-00096-4

Production of H2 by water radiolysis in cement paste under electron irradiation: A joint experimental and theoretical study

Sophie Le Caër, Lucile Dezerald, Khaoula Boukari, Maxime Lainé, Sébastien Taupin, Ryan M. Kavanagh, Conrad S.N. Johnston, Eddy Foy, Thibault Charpentier, Konrad J. Krakowiak, Roland J.-M Pellenq, Franz J. Ulm, Gareth A. Tribello, Jorge Kohanoff, Andres Saúl

Cement and Concrete Research 100:110-118 (2017)10.1016/j.cemconres.2017.05.022

Magnetic dimerization in the frustrated spin ladder Li 2 Cu 2 O ( SO 4 ) 2

O. Vaccarelli, G. Rousse, A. Saul, G. Radtke

Physical Review B: Condensed Matter and Materials Physics 96:180406-1-180406-5 (2017)10.1103/PhysRevB.96.180406

2016

Quasi-two-dimensional Bose-Einstein condensation of spin triplets in the dimerized quantum magnet Ba 2 CuSi 2 O 6 Cl 2

Makiko Okada, Hidekazu Tanaka, Nobuyuki Kurita, Kohei Johmoto, Hidehiro Uekusa, Atsushi Miyake, Masashi Tokunaga, Satoshi Nishimoto, Masaaki Nakamura, Marcelo Jaime, Guillaume Radtke, Andres Saúl

Physical Review B: Condensed Matter and Materials Physics 94 (2016)10.1103/physrevb.94.094421

2015

Atomistic Model for Ge Condensation under SiGe Oxidation

P. Ganster, A. Saul, G. Tréglia

Defect and Diffusion Forum 363:210-216 (2015)

Antiferromagnetic phase of the gapless semiconductor V3Al

M. E. Jamer, B. A. Assaf, G. E. Sterbinsky, D. Arena, L. H. Lewis, A. A. Saúl, G. Radtke, D. Heiman

Physical Review B: Condensed Matter and Materials Physics 91:094409 (2015)10.1103/PhysRevB.91.094409

Magnetic nanopantograph in the SrCu2(BO3)2 Shastry–Sutherland lattice

Guillaume Radtke, Andrés Saúl, Hanna A. Dabkowska, Myron B. Salamon, Marcelo Jaime

Proceedings of the National Academy of Sciences of the United States of America 112:1971-1976 (2015)10.1073/pnas.1421414112

2014

Multiphase equation of state for carbon addressing high pressures and temperatures

L.X. Benedict, K.P. Driver, S. Hamel, B. Militzer, T.T. Qi, A.A. Correa, A. Saul, E. Schwegler

Physical Review B: Condensed Matter and Materials Physics 89:224109 (2014)

Molecular dynamics simulations of the formation of 1D spin-valves from stretched Au-Co and Pt-Co nanowires

R. Cortes-Huerto, T. Sondon, A. Saul

Journal of Physics: Condensed Matter 26:474206 (2014)10.1088/0953-8984/26/47/474206

Simple views on surface stress and surface energy concepts

Pierre Müller, A. Saul, F. Leroy

Advances in Natural Sciences : Nanoscience and Nanotechnology 5:013002 (2014)

Density functional approach for the magnetism of !-TeVO4

A. Saul, G. Radtke

Physical Review B: Condensed Matter and Materials Physics 89:104414 (2014)10.1103/PhysRevB.89.104414

2013

Role of temperature in the formation and growth of gold monoatomic chains: A molecular dynamics study

R. Cortes-Huerto, T. Sondon, A. Saul

Physical Review B: Condensed Matter and Materials Physics 88:235438 (2013)10.1103/PhysRevB.88.235438

Magnetism of Ba4Ru3O10 revealed by density functional calculations: Structural trimers behaving as coupled magnetic dimers

G. Radtke, A. Saul, Y. Klein, G. Rousse

Physical Review B: Condensed Matter and Materials Physics 87:054436 (2013)10.1103/PhysRevB.87.054436

Theoretical study of the magnetic order in alpha-CoV2O6

A. Saul, D. Vodenicarevic, G. Radtke

Physical Review B: Condensed Matter and Materials Physics 87:024403 (2013)

2012

Structure and properties of nanoscale materials: theory and atomistic computer simulation

C. Bichara, P. Marsal, C. Mottet, R. Pellenq, F. Ribeiro, A. Saul, G. Tréglia, H.C. Weissker

International Journal of Nanotechnology 9:576-604 (2012)10.1504/IJNT.2012.045335

Conductance fluctuations in gold point contacts: an atomistic picture

Hubert Klein, Thomas Leoni, Philippe Dumas, Remi Zoubkoff, Andrés Saúl

Nanotechnology 23:235707 (2012)10.1088/0957-4484/23/23/235707

2011

Magnetic Couplings in CsV2O5: A New Picture

A. Saul, G. Radtke

Physical Review Letters 106:177203 (2011)

Uphill diffusion, zero-flux planes and transient chemical solitary waves in garnet

D. Vielzeuf, A. Saul

Contributions to Mineralogy and Petrology 161:683-702 (2011)

2010

Atomistic modeling of strain and diffusion at the Si/SiO2 interface

P. Ganster, A. Saul, G. Treglia

Physical Review B: Condensed Matter and Materials Physics 81:045315 (2010)

Interplay between Structural, Electronic, and Magnetic Degrees of Freedom in Sr3Cr2O8

G. Radtke, A. Saul, H.A. Dabkowska, G.M. Luke, G.A. Botton

Physical Review Letters 105:036401 (2010)

On the electronic structure and stability of hexagonal Ba3Ti2RuO9

G. Radtke, C. Maunders, A. Saul, S. Lazar, H.J. Whitfield, J. Etheridge, G.A. Botton

Physical Review B: Condensed Matter and Materials Physics 81:085112 (2010)

2009

Strain effect on self-diffusion in silicon : numerical study

P. Ganster, G. Treglia, A. Saul

Physical Review B: Condensed Matter and Materials Physics 79:115205 (2009)

2008

Are conductance plateaus independent events in atomic point contact measurements? A statistical approach

Thomas Leoni, Remi Zoubkoff, Sabrina Homri, Nadine Candoni, Petar Vidakovic, Alain Ranguis, Hubert Klein, Andrés Saúl, Philippe Dumas

Nanotechnology 19:355401 (2008)10.1088/0957-4484/19/35/355401

Electronic structure of the quasi 2D spin gap system SrCu2(BO3)2

G. Radtke, A. Saul, H.A. Dabkowska, B.D. Gaulin, G.A. Botton

Physical Review B: Condensed Matter and Materials Physics 77:125130 (2008)

2007

Study of the structure, segregation, and magnetic properties of Ni-Rh clusters

T. Sondon, J. Guevara, A. Saul

Physical Review B: Condensed Matter and Materials Physics 75:104426 (2007)