Conferences

Invited Conferences

1. High Performance Computing in the era of Artificial Intelligence/Machine Learning: some completely un-objective views
   
   G. Monard
   2^nd Workshop on High Performance Computing & Applications
   Middle East Technical University (online), March 6, 2021

2. Molecular Modeling of the reaction of deamidation in peptides and proteins using combined approaches
   G. Monard
   International Symposium on Chemistry ViA Computation “Applications on Molecular Nanoscience”
   Istanbul (Turkey) October 30, 2017

3. L'apport de la biochimie numérique à l'étude de la réactivité des protéines
   G. Monard
   Recherche et Industrie. Entre savoir et agir, le parcours d'un humaniste: Bertrand Castro
   Paris (France) February 5, 2016

4. AMBER: a biomolecular simulation package
   G. Monard
   PATC/CECAM Workshop: “Atomic and molecular calculation software on massively parallel machines: present and future”
   Bruyères-le-Châtel (France) June 10-11, 2015

5. The SEBOMD implementation within the AMBER biomolecular simulation package
   G. Monard
   Discussion meeting du noeud francilien du CECAM: “Développement de codes de chmie théorique dans un environnement HPC”
   Orsay (France) March 12-13, 2015

6. SemiEmpirical (NDDO) Methods Applied to Born-Oppenheimer Molecular Dynamics. Limitations and Improvements
   A. Marion, G. Monard, M. F. Ruiz-López, F. Ingrosso
   First Turkey-France Physical Chemistry Meeting
   Istanbul (Turkey) February 28, 2014

7. Assessing The Ligand-Protein Binding Modes With Computational Tools
   G. Çifci, V. Aviyente, G. Monard
   First Turkey-France Physical Chemistry Meeting
   Istanbul (Turkey) February 28, 2014

8. SEBOMD: SemiEmpirical Born-Oppenheimer Molecular Dynamics of periodic systems using NDDO hamiltonians
   G. Monard
   Amber Developers' meeting
   Rutgers University (USA) January 11-13, 2012

9. Combining a genetic algorithm with a linear scaling semiempirical method for protein-ligand docking
   E. Thiriot and G. Monard
   Theobio 09. 4^th International Symposium of Theoretical Biophysics
   Roscoff (France) June 29-July 3, 2009

10. Détermination du mécanisme catalytique de l'urate oxydase
    G. Monard
    XIème Journées Thématiques de Chimie Théorique. Processus chimiques en milieu biologique
    Marseille (France) March 26-27, 2009

11. Molecular Modeling of the Catalytic Mechanism of Urate Oxidase
    G. Monard
    Biomolecular modeling and simulation
    Reims (France) May 30, 2008

12. Born-Oppenheimer Molecular Dynamics of Liquids using NDDO Semiempirical Hamiltonians
    L. Teixidor and G. Monard
    2ème Journée Scientifique UHP: La Structure Electronique
    Nancy (France) June 13, 2006

13. Au-delà des méthodes usuelles de la modélisation moléculaire, les méthodes QM/MM et les méthodes à croissance linéaire
    G. Monard
    Conseil Scientifique de l'ENSIC
    Nancy (France) June 08, 2005

14. Efficient Algorithms for Density Matrix Calculations and for Geometry Optimization
    K. Németh, G. E. Scuseria, O. Coulaud, G. Monard, and J. G. Ángyán
    221^st A.C.S. National Meeting
    San Diego (USA) April 01-05, 2001

15. Linear scaling calculations on very large systems: the Divide & Conquer approach
    G. Monard
    Simulation et Analyse Numérique de Systèmes Moléculaires Complexes (SANSYMOC I)
    Strasbourg (France) March 08-09, 2001

16. Investigation of Enzyme Reactivity using MM. QM/MM and Linear Scaling Approaches: Human Fibroblast Collagenase
    G. Monard and K. M. Merz, Jr.
    218^th A.C.S. National Meeting
    New Orleans (USA) August 22-26, 1999

17. Semiempirical Molecular Orbital Calculations with Linear System Size Scaling
    G. Monard
    Orsay (France) April 27, 1999

18. The Local Self Consistent Field. Principles and Applications to Combined QM/MM Computations on Biomolecular Systems
    J.-L. Rivail, X. Assfeld, S. Antonczak, G. Monard, K. Baka, and N. Ferré
    214^th A.C.S. Meeting
    Las Vegas (USA) September 13-17, 1997

19. A QM/MM approach to study reactivity in macromolecules: the Local Self Consistent Field method
    G. Monard
    Model(l)ing '97
    Erlangen (Germany) September 02-05, 1997

20. C.Q.F.F. a Classical Quantum Force Field for Modeling Reactivity on Very Large Molecules
    G. Monard, M. Loos, K. Baka, A. Cartier, A. Mokrane, S. Antonczak, M. F. Ruiz-López, D. Rinaldi, B. Maigret, and J.-L. Rivail
    Molecular Interactions and Recognition - IIIrd National Conference on Molecular Spectroscopy with International Participation
    Przesieka (Poland) December 07-12, 1995

Oral communications

1. Modeling the dynamics of biochemical systems at the quantum level: the SemiEmpirical Born-Oppenheimer Molecular Dynamics (SEBOMD) approach
   G. Monard
   ISQBP President's Meeting 2018
   Barcelona (Spain) June 19-21, 2018

2. Modeling of dendrigraft poly-L-lysines (DGL)
   J.-P. Francoia, L. Vial, G. Monard
   2017 Amber developers' meeting
   Athens, Georgia (USA) February 15-17, 2017

3. SEBOMD and Quick: v20.16
   G. Monard
   2016 Amber developers' meeting
   San Diego, California (USA) March 17-19, 2016

4. Applications of the SemiEmpirical Born-Oppenheimer Molecular Dynamics (SEBOMD) approach to the study of biomolecules in aqueous solution: from small molecules to peptides and proteins
   A. Marion, F. Ingrosso, G. Monard
   55^th Sanibel Symposium
   St. Simons Island (USA) February 15-20, 2015

5. The sebomd14 and quick branches
   G. Monard
   2015 Amber developers' meeting
   Gainesville (USA) February 14-16, 2015

6. Improving SemiEmpirical (NDDO) methods for Born-Oppenheimer Molecular Dynamics
   A. Marion, G. Monard, M.F. Ruiz-López, F. Ingrosso
   28^th Molecular Modeling Workshop
   Erlangen (Germany) March 17-19, 2014

7. Current Status of SEBOMD within AMBER
   G. Monard
   2014 Amber developers' meeting
   Stony Brook (USA) January 16-18, 2014

8. An Improved Description of Solute-Solvent Interactions for SemiEmpirical (NDDO) Born-Oppenheimer Molecular Dynamics of Biomolecular Systems
   A. Marion, G. Monard, M.F. Ruiz-López, F. Ingrosso
   GDR CORREL
   Paris (France) November 27-29, 2013

9. An Improved Description of Solute-Solvent Interactions for SemiEmpirical (NDDO) Born-Oppenheimer Molecular Dynamics of Biomolecular Systems
   A. Marion, F. Ingrosso, G. Monard
   8^th COTAW
   Namur (Belgium) September 12-13, 2013

10. SemiEmpirical (NDDO) Born-Oppenheimer Molecular Dynamics of Biomolecular Systems
    A. Marion, F. Ingrosso and G. Monard
    44^th IUPAC World Chemistry Congress
    Istanbul (Turkey) August 11-16, 2013

11. Investigation of the Deamidation Reaction in Triosephosphate Isomerase by Means of Long Range Molecular Dynamics Simulations (présentation orale)
    I. Ugur, V. Aviyente, G. Monard
    44^th IUPAC World Chemistry Congress
    Istanbul (Turkey) August 11-16, 2013

12. Accurate pKa predictions of organic compounds using atomic charge descriptors
    I. Ugur, A. Marion, G. Monard
    Theobio: 6^th International Theoretical Biophysics Symposium
    Gothenburg (Sweden) June 24-27, 2013

13. SemiEmpirical Born-Oppenheimer Molecular Dynamics Overview and Applications to Hydrophobic Biomolecules in Water
    A. Marion, F. Ingrosso, G. Monard
    Theobio: 6^th International Theoretical Biophysics Symposium
    Gothenburg (Sweden) June 24-27, 2013

14. Detailed Analysis on the Kinetics of Deamidation Reaction Using Long Range Molecular Dynamics Simulations Combined with Quantum Mechanics/Molecular Mechanics Calculations by Umbrella Sampling Technique
    I. Ugur, V. Aviyente, G. Monard
    Theobio: 6^th International Theoretical Biophysics Symposium
    Gothenburg (Sweden) June 24-27, 2013

15. SemiEmpirical Molecular Dynamics of Hydrophobic Compounds in Water
    A. Marion, F. Ingrosso, G. Monard
    9ème Rencontre des Chimistes Théoriciens du Grand-Est
    Reims (France) June 07-08, 2013

16. Investigation of the Deamidation Reaction in Triosephosphate Isomerase by MeanS Molecular Dynamics Simulations
    I. Ugur, V. Aviyente G. Monard
    9ème Rencontre des Chimistes Théoriciens du Grand-Est
    Reims (France) June 07-08, 2013

17. Vers un nouvel outil d'étude de la reconnaissance hôte-ligand: conception de nouveaux inhibiteurs de PDE4 guidée par docking quantique
    C. Barberot, H. Khartabil, J-C. Boisson, E. Thiriot, S. Gérard, G. Monard, E. Hénon
    9ème Rencontre des Chimistes Théoriciens du Grand-Est
    Reims (France) June 07-08, 2013

18. Current Status of SEBOMD within AMBER
    G. Monard
    2013 Amber developers' meeting
    Salt Lake City (USA) March 11-13, 2013

19. Initiation of the Reaction of Deamidation in Triosephosphate Isomerase : Investigations by Means of Molecular Dynamics Simulations
    I. Ugur, V. Aviyente, G. Monard
    10^th Chemical Physics Congress
    Ankara (Turkey) October 10-12, 2012

20. Modeling the deamidation in peptides and TPI
    V. Aviyente, I. Ugur, G. Monard
    244^th A.C.S. National Meeting
    Philadelphia (USA) August 19-23, 2012

21. SEBOMD (SemiEmpirical Born-Oppenheimer Molecular Dynamics): Techniques and applications
    F. Ingrosso, G. Monard
    Theobio: 5^th Theoretical Biophysics Internation Symposium
    Madeira (Portucal) June 8-12, 2011

22. Molecular Dynamics Using a Quantum Semiempirical Hamiltonian: Solute-Solvent Interactions in Model Biosystems
    A. Marion, F. Ingrosso, G. Monard
    GDR CORREL
    Toulouse (France) November 30 - December 02, 2011

23. SEBOMD (SemiEmpirical Born-Oppenheimer Molecular Dynamics): Techniques and applications
    G. Monard
    CECAM Workshop: Approximate Quantum-Methods:Advances, Challenges & Perspectives
    Bremen (Germany) September 20-24, 2010

24. Molecular modeling of the catalytic mechanism of class A methionine sulfoxide reductase
    G. Monard
    Congrès Annuel de la SFBBM. Les enzymes du vivant aux biotechnologies
    Nancy (France) August 27-29, 2009

25. Combining a genetic algorithm with a linear scaling semiempirical method for protein-ligand docking
    E. Thiriot and G. Monard
    XVIème congrès du Groupe de Graphisme et de Modélisation Moléculaire (GGMM)
    Mittelwihr (France) May 5-7, 2009

26. Réduction enzymatique des méthionine sulfoxydes
    E. Thiriot, G. Monard, and M. F. Ruiz-López
    6ème Rencontre des Chimistes Théoriciens du Grand-Est
    Mont Saint-Odile (France) September 28, 2007

27. Deamidation of asparaginyl residues in peptides and proteins
    S. Catak, G. Monard, V. Aviyente, M. F. Ruiz-López
    233^rd A.C.S. National Meeting
    Chicago (USA) March 25, 2007

28. Molecular Dynamics simulations of liquids using a linear scaling quantum semiempirical approach
    L. Teixidor and G. Monard
    Xème Rencontre des Chimistes Théoriciens Francophones
    Nancy (France) July 10-13, 2006

29. Adjusting semiempirical methods using ab initio potential energy surfaces
    G. Monard and M. F. Ruiz-López
    CECAM Workshop: Ab Initio Meets Classical Simulations: The Development of Empirical Potentials for Atomistics Systems
    Lyon (France) October 17-19, 2005

30. Modeling of the catalytic mechanism of Urate Oxidase
    M. Altarsha and G. Monard
    Sanofi-Aventis Thesis Day
    La Londe Les Maures (France) June 23-24, 2005

31. Modeling of the catalytic mechanism of Urate Oxidase
    M. Altarsha and G. Monard
    5ème Rencontre des Chimistes Théoriciens du Grand-Est
    Reims (France) June 10, 2005

32. Simulation de l'eau liquide en utilisant une approche quantique semi-empirique à croissance linéaire
    L. Teixidor and G. Monard
    5ème Rencontre des Chimistes Théoriciens du Grand-Est
    Reims (France) June 10, 2005

33. Computing Molecular Potential Energy Surface with DIET
    E. Jeannot and G. Monard
    International Conference on Information Technology: Coding and Computing (ITCC'05)
    Las Vegas, Nevada (USA) April 4-6, 2005

34. Modeling of the catalytic mechanism of Urate Oxidase
    M. Altarsha and G. Monard
    Sanofi-Synthelabo Industrial Chemical Development Annual Meeting
    La Londe Les Maures (France) March 29-30, 2004

35. First Steps in the development of a general linear scaling IMOMO software
    M. Altarsha and G. Monard
    The First French - Syrian Meeting on Chemistry
    Homs (Syria) November 27-30, 2003

36. Développement de nouveaux paramètres semi-empiriques: Partie I: Exploration de surfaces d'énergie potentielle
    G. Monard
    4ème Rencontre des Chimistes Théoriciens du Grand-Est
    Nancy (France) September 19, 2003

37. Simulation de processus chimiques : de la solution aux systèmes biologiques
    G. Monard, X. Assfeld, M. F. Ruiz-López, and J.-L. Rivail
    GDR DFT, Fonctionnelle de la densité: de la molécule aux matériaux et systèmes complexes
    Dinard (France) May 22-24, 2002

38. Modeling the deamidation of asparagine residues via succinimide intermediates in solution
    V. Aviyente, A. S. Konuklar, G. Monard, M. F. Ruiz-López
    221^st A.C.S. National Meeting
    San Diego (USA) April 01-05, 2001

39. Efficient Algorithms for Molecular Geometry Optimization in Internal Coordinates
    K. Németh, O. Coulaud, G. Monard, and J. G. Ángyán
    Journée Scientifique du Centre Charles Hermite
    Nancy (France) February 05, 2001

40. Semiempirical Molecular Orbital Calculations with Linear System Size Scaling
    G. Monard
    Journées Scientifiques du Centre Charles Hermite
    Nancy (France) January 11-12, 2000

41. Un exemple d'application des méthodes QM/MM: la résistance bactérienne aux antibiotiques
    G. Monard
    2ème Rencontre des Chimistes Théoriciens du Grand-Est
    Reims (France) October 15, 1999

42. Theoretical Reactivity in Proteins. Investigations by Means of the QM/MM LSCF Approach
    G. Monard
    ISQBP '98, Molecular Structure and Dynamics in Biology
    Island of Elba (Italy) September 08-11, 1998

43. Recent developments in the Local Self Consistent Field Method applied to chemical and biochemical reactivity problems
    X. Assfeld, J. G. Ángyán, G. Monard, and J.-L. Rivail
    CECAM Workshop: Combined Quantum Mechanical-Classical Hybrid Methods for the Simulation of Chemical Reactions
    Lyon (France) May 26-29, 1998

44. The Local Self Consistent Field Method for Hybrid Quantum-Classical Computations on Macromolecules
    J.-L. Rivail, G. Monard, K. Baka, and X. Assfeld
    CECAM Workshop: Potential Functions for Simulation of Biomolecular Systems
    Lyon (France) September 23-25, 1996

45. C.Q.F.F. a Classical Quantum Force Field for Modeling Reactivity on Very Large Molecules: Methods and Examples
    G. Monard, S. Antonczak, M. Loos, M. F. Ruiz-López, and J.-L. Rivail
    NATO Advanced Study Institute: Biomolecular Structure and Dynamics
    Loutraki (Greece) May 27 - June 6, 1996

46. Traitement des gros systèmes chimiques et biochimiques au moyen des méthodes hybrides classico-quantiques
    G. Monard
    Nouveaux Développements du Calcul à Haute Performance en Chimie
    Nancy (France) November 30, 1995

47. CQFF: A Complete Tool for the study of Ground and Excited States of Large Biomolecule Subsystem
    M. Loos, and G. Monard
    III Congress of Biophysics of the Southern Cone - XX Annual Congress of the Brazilian Biophysical Society
    Bello Horizonte (Brasil) August 19-22, 1995

48. A Classical Quantum Force Field: Principles and Applications to Biochemical Reaction Modelling
    J.-L. Rivail, G. Monard, K. Baka, and M. Loos
    CECAM Workshop: Developping Hybrid Quantum and Classical Mechanical Methods for the Simulation of Biopolymers in Solution
    Lyon (France) May 09-11, 1995

49. Les Calculs Hybrides Classiques-Quantiques en Chimie et en Biologie. Leur Parallélisation
    G. Monard
    Présentation du Centre Charles Hermite
    Nancy (France) February 28, 1995

50. A Quantum Chemical Approach to Reactions in Biomolecules
    M. Loos, G. Monard, V. Théry, K. Baka, J.-L. Rivail, and B. Maigret
    2^nd Conference on Molecular Modeling
    Rio de Janeiro (Brasil) October 26-28, 1994

Invited Lectures

1. Semiempirical, empirical and hybrid methods
   Ecole Thematique CNRS ModPhyChem
   Lyon (France) October 09-13, 2017

2. Solvent effects and more: continuum models and QM/MM methods
   MeMoSim 2015: Méthodes de modélisation et simulation multiéchelles
   Lyon (France) March 30 - April 02, 2015

3. Introduction au Parallélisme
   ANF Informatique pour le calcul scientifique: base et outils
   La Bolle (France) September 22-26, 2014

4. Software Engineering; Bug Tracking; UNIX; Python
   Ecole Développement Logiciel en Chimie Quantique
   Paris (France) April 15-19, 2013

5. Solvent effects on biomolecules: non continuum and QM/MM approaches
   Doctorate School in Molecular Physical Chemistry
   Louvain-La-Neuve (Belgium) May 16-19, 2011

6. Environment effects in quantum chemistry
   Physico-chimie des molécules d'intérêt biologique; Aspects théoriques et expérimentaux
   Louvain-La-Neuve (Belgium) May 31, 2005

7. Prise en compte de l'effet de l'environnement dans l'étude de la réactivité et de la structure des surfaces et des agrégats
   7ème Université d'été de Physico-Chimie Théorique
   Aussois (France) September 30 - October 05, 2001

Seminars in Institutions

1. Modeling large biomolecular systems using approximate quantum methods
   Technische Universität München, Munich (Germany) October 20, 2015

2. Accurate pKa predictions of organic compounds using atomic charge descriptors
   Bogazici University, Istanbul (Turkey) November 27, 2013

3. SEBOMD: SemiEmpirical Born-Oppenheimer Molecular Dynamics of periodic systems using NDDO hamiltonians. Techniques and Applications
   Department of Chemistry, University of Copenhagen, Copenhagen (Denmark) April 08, 2010

4. Combining a genetic algorithm with a linear scaling semiempirical method for protein-ligand docking
   Bogazici University, Istanbul (Turkey) October 27, 2009

5. Born-Oppenheimer Molecular Dynamics of Liquids using NDDO Semiempirical Hamiltonians
   Bogazici University, Istanbul (Turkey) December 11, 2007

6. Modélisation de la réactivité des systèmes biologiques: de la réactivité intrinsèque à la réactivité in situ
   LCM3B Nancy (France) October 24, 2007

7. Modeling reactivity in biomolecular systems: on the use of quantum mechanics and related tools
   ENS Lyon (France) October 20, 2005

8. Molecular Modeling of the Catalytic Mechanism of Urate Oxidase
   Bogazici University, Istanbul (Turkey) May 6, 2005
   Istanbul Technical University, Istanbul (Turkey) May 9, 2005

9. Exploration de Surfaces d'Energie Potentielle à l'aide de la Grille
   Université de Reims (France) June 30, 2004

10. Computational simulation of chemical processes: from solution to biological systems
    Universitat Autonoma de Barcelona (Spain) October 29, 2003.

11. Computational simulation of chemical processes: from solution to biological systems
    Bogazici University, Istanbul (Turkey) June 20, 2002.

12. Combined Quantum Mechanical/Molecular Mechanical methodologies applied to biomolecular systems
    Universitat Autonoma de Barcelona (Spain) November 9, 2000.

13. Bacterial resistance to antibiotics: an investigation by means of theoretical chemistry tools
    Rhode Island College (USA) January 29, 1999

Misc. (EXPLOR)

1. EXPLOR: a set of scientific computing for Lorraine
   G. Monard
   Journée scientifique ROMEO 2017
   Reims (France) June 15, 2017

2. EXPLOR: a set of scientific computing for Lorraine
   G. Monard
   Interregional Workshop on Computational Sciences and Modelling
   Strasbourg (France) October 13-14, 2016