Mark E. Casida: Posters

Last updated: 17 September 2011

Mark E. Casida: Posters

As is common practice the underlined name is that of the person who actually presented the poster.

2011

• Mark E. Casida and Miquel Huix-Rotllant (poster prepared by MH and presented by MEC)
• "General Approach to Including Explicit Double-Excitations in Linear-Response Time-Dependent Density-Functional Theory"
• Gordon Research Conference on Time-Dependent Density-Functional Theory, University of New England, Biddeford, Maine, USA, 14-19 August 2011.

2009

• Bhaarathi Natarajan, M. Huix-Rotllant, A. Ipatov, C. M. Wawire, T. Deutsch, and M. E. Casida,
  • "Behaviour of Conical Intersections within Noncollinear Spin-Flip Time-Dependent Density-Functional Theory: Oxirane as Test Case"
  • 3th International Conference on the Applications of Density Functional Theory in Chemistry and Physics, DFT09
  • 31 August - 4 September 2009, Lyon, France.
• Miquel Huix and M. E. Casida
  • "Explicit Double Excitations in Time-Dependent Density-Functional Theory: Diagrammatic Analysis of the Exchange-Correlation Kernel"
  • 3th International Conference on the Applications of Density Functional Theory in Chemistry and Physics, DFT09
  • 31 August - 4 September 2009, Lyon, France.

2008

• Mark E. Casida, Enrico Tapavicza, Ivano Tavernelli, Ursula Rothlisberger, and Claudia Filippi
  • "Mixed TDDFT/classical surface hopping method"
  • Fourth International Meeting on Molecular Electronics, ElecMol'08
  • 8-12 December 2008, Grenoble, France

2005

• Felipe Cordova, Andrei Ipatov, Mark E. Casida, and Alberto Vela
  • "Photochemistry from DFT: Oxirane Ring Opening"
  • Second Meeting on Molecular Electronics, elecmol'05
  • 19-20 December 2005, Grenoble, France
• Felipe Cordova, Mark E. Casida, and Alberto Vela
  • ''Electronic Excitation Spectrum and Photochemistry of Ethylene Oxide"
  • The deMon Developers 6th Annual Workshop, Technische Universität Dresden
  • 30 March - 3 April 2005, Dresden, Germany

2004

• Antony Fouqueau, Mark E. Casida, Latévi Max Lawson Daku, Andreas Hauser, Frank Neese and Tzonka Mineva.
  • "Theoretical Study of Spin Crossover in Model Ferrous Compounds: Comparison of DFT, LFT and ab initio Methods for Describing the Singlet and Quintet States of [Fe^II(H₂O)₆]²⁺ and [Fe^II(NH₃)₆]²⁺"
  • 5th International deMon Workshop
  • 1-5 May 2004, Tropea, Italy
• Antony Fouqueau, Mark E. Casida, Latévi Max Dawson Daku, Andreas Hauser, Frank Neese, and Tzonka Mineva
  • "Theoretical Study of Spin Crossover in Model Ferrous Compounds: Comparison of DFT, LFT and ab initio Methods for Describing the Singlet and Quintet States of [Fe^II(H₂O)₆]²⁺ et [Fe^II(NH₃)₆]²⁺"
  • GdR-DFT 2004, Atelier du Groupe de Recherche en la Théorie de la Fonctionnelle de la Densité
  • 4-6 February 2004, La Londe les Maures, France
• Antony Fouqueau, Mark E. Casida, Latévi Max Lawson Daku, Andreas Hauser, Frank Neese and Tzonka Mineva.
  • "Theoretical Study of Spin Crossover in Model Ferrous Compounds: Comparison of DFT and CASPT2 Methods for Describing the Singlet and Quintet States of [Fe^II(H₂O)₆]²⁺ et [Fe^II(NH₃)₆]²⁺"
  • COST project workshop
  • 10-12 January 2004, Paris, France

2003

• Elisa Fadda, Mark E. Casida, and Dennis R. Salahub
  • "The Ring-Flip Catalytic Mechanism of Serine Proteases: A Density-Functional Perturbation Theory Analysis"
  • 5th Canadian Computational Chemistry Conference (CCCC5), University of Toronto
  • 27-30 July 2003, Toronto, Canada
• Mark E. Casida
  • "Calcul des propriétés optiques à partir de la théorie de la fonctionnelle de la densité"
  • Colloque Polymères, Colloïdes et Membranes
  • 27-28 February 2003, Villars-de-Lans, France
• Elisa Fadda, Mark E. Casida, and Dennis R. Salahub
  • "Nuclear Magnetic Resonance as a Tool for Drug Discovery: A Density-Functional Theory Approach"
  • Centre de Recherche en Calcul Appliqué (CERCA)
  • 28 January 2003, Montréal, Canada

2002

• Antony Fouqueau, Sébastien Mer, Mark E. Casida, Latévi Max Lawson Daku and Andreas Hauser
  • "Theoretical Study of Spin Cross Over in Model Ferrous Compounds: Comparison of DFT and CASPT2 Methods for describing the Singlet and Triplet States of [Fe^II(H₂O)₆]²⁺"
  • NATO Advanced Study Institute on Metal-Ligand Interactions in Molecular-, Nano-, Micro-, and Macro-Systems in Complex Environments
  • 1-2 September, Cetraro, Italy
• Antony Fouqueau, Sébastien Mer, Mark E. Casida, Latévi Max Lawson Daku and Andreas Hauser
  • "Étude théorique du phénomène de transition de spin dans des complexes de coordination de Fe^II : comparaison des résultats ab initio et DFT pour les é©tats quintuplet et singulet de [F^II(H₂O₆]²⁺"
  • 6ème Journées Francophones des Jeunes Physico-Chimistes
  • 2-5 Juillet 2002, Marseille, France
• Carlos Perez del Valle, Mark E. Casida, and Christine Jamorski
  • "Implementation of a Charge Transfer Correction in the Time-Dependent Density Functional Program deMon-DynaRho and Study of its Effect on the Excited States of Aminobenzonitile"
  • 3rd International deMon Workshop
  • 2-6 April 2002, Geneva, Switzerland
• Antony Fouqueau, Sébastien Mer, Mark E. Casida, Latévi Max Lawson Daku and Andreas Hauser
  • "Theoretical Study of Spin Cross Over in Model Ferrous Compounds: Comparison of DFT and CASPT2 Methods for describing the Singlet and Triplet States of [Fe^II(H₂O)₆]²⁺"
  • 3rd International deMon Workshop
  • 2-6 April 2002, Geneva, Switzerland
• Mark E. Casida
  • "La Théorie de la Fonctionnelle de la Densité Dépendante du Temps (TDDFT) pour le Calcul des Énergies d'Excitation des Molécules: Réussites et Défis"
  • Meeting of the Groupe de Recherche sur la Théorie de la Fonctionnelle de la Densité
  • 22 May 2002, Dinard, France