29. Type of contribution: Invited Lecture
Author: Jesus M. Ugalde
Congress: The International Chemical Congress of Pacific Basin Societies 2015
Title: Electron-pair distribution functions for electron correlation studies
Place: Honolulu, Hawaii, USA
Date: December 15 – 20, 2015
28. Type of contribution: Contributed Talk
Author: Andreas Heidenreich
Congress: Clustertreffen 2015
Title: Efficiency of dopant-induced ignition of helium nanodroplets
Place: Lindow (Germany)
Date: September 20-25
Author: Andreas Heidenreich
Congress: Clustertreffen 2015
Title: Efficiency of dopant-induced ignition of helium nanodroplets
Place: Lindow (Germany)
Date: September 20-25
27. Type of contribution: Invited (plenary) lecture
Author: S. J. Grabowski
Congress: Modeling Interactions in Biomolecules VII
Title: Protonation of alkanes by carborane superacids – towards the topological acidity scale
Place: Prague (Czech Republic)
Date: September 14-18
Author: S. J. Grabowski
Congress: Modeling Interactions in Biomolecules VII
Title: Protonation of alkanes by carborane superacids – towards the topological acidity scale
Place: Prague (Czech Republic)
Date: September 14-18
26. Type of contribution: Contributed Talk
Author: Andreas Heidenreich
Congress: 3rd International Conference on Correlation Effects in Radiation Fields (CERF15)
Title: Efficiency of dopant-induced ignition of helium nanodroplets
Place: Rostock (Germany)
Date: September 13-18
Congress: 3rd International Conference on Correlation Effects in Radiation Fields (CERF15)
Title: Efficiency of dopant-induced ignition of helium nanodroplets
Place: Rostock (Germany)
Date: September 13-18
25. Type of contribution: Contributed Talk
Author: Mario Piris
Congress: PSI-K 2015 Conference (Psi-K 2015)
Title: Towards an N-representable 1-RDM theory
Place: Donostia
Date: September 6 – 10
Author: Mario Piris
Congress: PSI-K 2015 Conference (Psi-K 2015)
Title: Towards an N-representable 1-RDM theory
Place: Donostia
Date: September 6 – 10
24. Type of contribution: Oral communication.
Author: Mauricio Rodríguez-Mayorga
Congress: 16th International Conference on Density Functional Theory and its Applications
Title: On the effect of electron correlation in 3-RDM approximations
Author: Mauricio Rodríguez-Mayorga
Congress: 16th International Conference on Density Functional Theory and its Applications
Title: On the effect of electron correlation in 3-RDM approximations
Place: Debrecen, Hungary.
Date: August 31 – September 4.
Date: August 31 – September 4.
23. Type of contribution: Oral communication.
Author: Eloy Ramos-Cordoba
Congress: 16th International Conference on Density Functional Theory and its Applications
Author: Eloy Ramos-Cordoba
Congress: 16th International Conference on Density Functional Theory and its Applications
Title: Understanding and quantifying electron correlation
Place:Debrecen, Hungary.
Date: August 31 – September 4
Place:Debrecen, Hungary.
Date: August 31 – September 4
22. Type of contribution: Oral Communication
Author: Eduard Matito
Conference: 16th International Conference on Density Functional Theory and its Applications
Title: Harmonium atom as a calibration and development tool in DFT
Place: Debrecen, Hungary
Date: August 31 – September 4
Author: Eduard Matito
Conference: 16th International Conference on Density Functional Theory and its Applications
Title: Harmonium atom as a calibration and development tool in DFT
Place: Debrecen, Hungary
Date: August 31 – September 4
21. Type of contribution: Invited Lecture
Author: Jesus M. Ugalde
Congress: International Conference on Computational and Experimental Engineering and Sciences
Title: Structural and Optical Properties of the Naked and Passivated Al5Au5 Bimetallic Nanocluster
Author: Jesus M. Ugalde
Congress: International Conference on Computational and Experimental Engineering and Sciences
Title: Structural and Optical Properties of the Naked and Passivated Al5Au5 Bimetallic Nanocluster
Place: Reno, Nevada, USA
Date: July 20 – 24
Date: July 20 – 24
20. Type of contribution: Poster
Author: Mauricio Rodríguez-Mayorga
Congress: Hands-on workshop density-functional theory and beyond: First-principles simulations of molecules and materials
Title: Selective hybridization, a path for DFT evolution
Author: Mauricio Rodríguez-Mayorga
Congress: Hands-on workshop density-functional theory and beyond: First-principles simulations of molecules and materials
Title: Selective hybridization, a path for DFT evolution
Place: Berlin, Germany
Date: July 13 – 23
Date: July 13 – 23
19. Type of contribution: oral communication
Author: S. J. Grabowski
Congress: Third EuCheMS Inorganic Chemistry Conference
Title: Splitting of hydrogen by activation at a single non-metallic center
Author: S. J. Grabowski
Congress: Third EuCheMS Inorganic Chemistry Conference
Title: Splitting of hydrogen by activation at a single non-metallic center
Place: Wrocław (Poland)
Date: June 28 – July 1
Date: June 28 – July 1
18. Type of contribution: Invited Lecture
Author: Jesus M. Ugalde
Congress: International Conference on Chemical Bonding
Title: Aromaticity in Small Inorganic Rings. A “stretch” or a “gizmo” ?
Author: Jesus M. Ugalde
Congress: International Conference on Chemical Bonding
Title: Aromaticity in Small Inorganic Rings. A “stretch” or a “gizmo” ?
Place: Kauai, Hawaii, USA
Date: July 2 – 6
Date: July 2 – 6
17. Type of contribution: Invited Lecture
Author: Mario Piris
Congress: 10th Seminars of Advanced Studies on Molecular Design and Bioinformatics (SEADIM 10)
Title: Towards an N-representable 1-RDM theory
Place: Varadero, Cuba
Date: June 23 – 28
Author: Mario Piris
Congress: 10th Seminars of Advanced Studies on Molecular Design and Bioinformatics (SEADIM 10)
Title: Towards an N-representable 1-RDM theory
Place: Varadero, Cuba
Date: June 23 – 28
16. Type of contribution: Invited Lecture
Author: David Casanova
Conference: Singlet fission workshop
Title: Singlet fission into a pair of bright states
Place: Lyons, Colorado, USA
Date: June 20 – 23
15. Type of contribution: Invited Lecture
Author: Eduard Matito
Conference: 15th V.A. Fock Meeting on Quantum and Computational Chemistry
Title: New Measures of Dynamic Electron Correlation in Terms of Natural Orbitals and Their Occupancies
Place: Vladivostok (Russia)
Date: June 19 – 24
14. Type of contribution: Invited Lecture
Author: Jesus M. Ugalde
Congress: Math/Chem/Comp (Mathematics, Chemistry, Computers
Title: Quantum Molecular Dynamical Studies of the Li(+)-Ferrocene Complex
Author: Jesus M. Ugalde
Congress: Math/Chem/Comp (Mathematics, Chemistry, Computers
Title: Quantum Molecular Dynamical Studies of the Li(+)-Ferrocene Complex
Place: Dubrovnik, Croatia
Date: June 12 – 19
Date: June 12 – 19
13. Type of contribution: Poster
Author: Mario Piris
Congress: The 15th International Congress of Quantum Chemistry (ICQC 15)
Author: Mario Piris
Congress: The 15th International Congress of Quantum Chemistry (ICQC 15)
Title: Towards an N-representable Natural Orbital Functional Theory
Place: Beijing, China
Date: June 8 – 13
Place: Beijing, China
Date: June 8 – 13
12. Type of contribution: Poster
Author: David Casanova
Conference: The 15th International Congress of Quantum Chemistry (ICQC 15)
Title: Tetraradical characterization through electronic structure calculations: theory and examples
Place: Beijing, China
Date: June 8 – 13
11. Type of contribution: Poster
Author: Jon M. Matxain
Congress: 7th International Theoretical Biophysics Symposium (THEOBIO 2015)
Title: Attack of OH radical to the OH- and S-containing amino acids
Place: Cagliari, Italia
Date: June 8 – 12.
Author: Jon M. Matxain
Congress: 7th International Theoretical Biophysics Symposium (THEOBIO 2015)
Title: Attack of OH radical to the OH- and S-containing amino acids
Place: Cagliari, Italia
Date: June 8 – 12.
10. Type of contribution: Poster
Author: Elena Formoso
Congress: 7th International Theoretical Biophysics Symposium (THEOBIO 2015)
Title: Effect of Al(III) on coenzyme NADH in solution
Place: Cagliari, Italy
Date: June 8 – 12
Author: Elena Formoso
Congress: 7th International Theoretical Biophysics Symposium (THEOBIO 2015)
Title: Effect of Al(III) on coenzyme NADH in solution
Place: Cagliari, Italy
Date: June 8 – 12
9. Type of contribution: Oral Communication
Author: Jon I. Mujika
Congress: 7th International Theoretical Biophysics Symposium (THEOBIO 2015)
Title: Understanding by means of quantum chemistry how Aluminum is coordinated to an Amyloid Ab peptide.
Place: Cagliari, Italy
Date: June 8 – 12
Author: Jon I. Mujika
Congress: 7th International Theoretical Biophysics Symposium (THEOBIO 2015)
Title: Understanding by means of quantum chemistry how Aluminum is coordinated to an Amyloid Ab peptide.
Place: Cagliari, Italy
Date: June 8 – 12
8. Type of contribution: Invited Lecture
Author: Mario Piris
Congress: Recent Advances in Electronic Structure Theory (RAEST 2015)
Author: Mario Piris
Congress: Recent Advances in Electronic Structure Theory (RAEST 2015)
Title: Towards an N-representable NOF theory
Place: Nanjing, China
Date: June 1 – 6
Place: Nanjing, China
Date: June 1 – 6
7. Type of contribution: Flash Communication
Author: Eduard Matito
Congress: Recent Advances in Electronic Structure Theory (RAEST 2015)
Title: Understanding and Quantifying Electron Correlation
Author: Eduard Matito
Congress: Recent Advances in Electronic Structure Theory (RAEST 2015)
Title: Understanding and Quantifying Electron Correlation
Place: Nanjing (China)
Date: June 1 – 6
6. Type of contribution: Poster
Author: David Casanova
Conference: Recent Advances in Electronic Structure Theory (RAEST 2015)
Title: Recent advances within the restricted active space configuration interaction spin flip method
Place: Nanjing, China
Date: June 1 – 6
Author: David Casanova
Conference: Recent Advances in Electronic Structure Theory (RAEST 2015)
Title: Recent advances within the restricted active space configuration interaction spin flip method
Place: Nanjing, China
Date: June 1 – 6
5. Type of contribution: Attendance
Author: Eloy Ramos-Cordoba
Author: Eloy Ramos-Cordoba
Congress: Workshop on “Advances on electronic structure theory
Place: Paris, France.
Date: April 27 – 29.
Place: Paris, France.
Date: April 27 – 29.
4. Type of contribution: Invited Lecture
Author: David Casanova
Conference: Modeling photoactive molecules
Title: Electronic structure studies on singlet exciton fission
Place: Nantes, France
Date: April 21 – 24
3. Type of contribution: Keynote Speaker
Author: Jon M. Matxain
Congress: ImagineNano 2015.
Title: Novel Solid Polymorphs by Self-Assembling of Nanoclusters
Place: Bilbao
Date: March 10 – 13.
Author: Jon M. Matxain
Congress: ImagineNano 2015.
Title: Novel Solid Polymorphs by Self-Assembling of Nanoclusters
Place: Bilbao
Date: March 10 – 13.
2. Type of contribution: Oral Communication
Author: Elena Formoso
Congress: The Eleventh Keele Meeting on Aluminium: The Natural History of Aluminium, past, present, future
Title: Effect of Al(III) on coenzyme NADH in solution
Place: Lille, France
Date: 28 February- 4 March
Author: Elena Formoso
Congress: The Eleventh Keele Meeting on Aluminium: The Natural History of Aluminium, past, present, future
Title: Effect of Al(III) on coenzyme NADH in solution
Place: Lille, France
Date: 28 February- 4 March
1. Type of contribution: Oral Communication
Author: Jon I. Mujika
Congress: The Eleventh Keele Meeting on Aluminium: The Natural History of Aluminium, past, present, future
Title: Identifying Aluminum Binding Sites in Amyloid Ab peptide by Means of Computational Chemistry
Place: Lille, France
Date: 28 February – 4 March
Congress: The Eleventh Keele Meeting on Aluminium: The Natural History of Aluminium, past, present, future
Title: Identifying Aluminum Binding Sites in Amyloid Ab peptide by Means of Computational Chemistry
Place: Lille, France
Date: 28 February – 4 March
