RESEARCH

We apply DFT computational methods for the elucidation of reaction mechanisms, in the organometallic and organocatalysis fields, through the collaboration with experimental groups all around Europe, in Academia (ca. 25 groups) and in the Industry (Bayer CropScience - Frankfurt, Sanofi - Frankfurt, Astra Zeneca - Göteborg)

 

PROJECTS

European ITN Marie Curie Networks:

2017-2021. CATMEC, in collaboration with two academic partners, Harrity (Sheffield) and Martín-Matute (Stockholm) and three industrial partners (AstraZeneca, Evotec and Cambrex).

Four PhD students completed their Thesis in our group within this project, cotutelled ​​​​​​​by the other partners of the network. Dr. Giovanna Zanella (November 2020), Dr. Larry Hoteite (March 2021), Dr. Martin Pauze (September 2021) and Alba Carretero (expected 2022).

​​​​​​​2013-2016. ECHONET, in collaboration with five academic groups (Harrity, Bonjoch, Occhiato, Rutjes, Bräse) and three industrial partners (Bayer CropScience, Peakdale and Future Chem).

Dr. Béla Fiser completed the PhD (July 2016) working in our group within this project.

Spanish Ministry:

2020-2022. Estudios computacionales y experimentales sobre activación C-H catalizada por Paladio; PID2019-110008GB-I00

2017-2019. Sinergia experimental y teórica para el desarrollo de nuevos métodos sintéticos; CTQ2016-78083-P

Basque Government:

2016-2021. Sustainable Catalysis: Methods and Computation. IT 1033/16

 

COLLABORATIONS

Industrial Collaborations:​​​​​​​

Magnus Johansson & Werngard Czechtizky.  Astra Zeneca (Göteborg)

Stephen Lindell.  Bayer CropScience (Frankfurt am Main)

Volker Derdau & María Méndez.  Sanofi (Frankfurt am Main) ​​​​​​​

​​​​​​​Academic Collaborations:

Diego Alonso (Alicante), Stefan Bräse (Karlsruhe IT), Josep Bonjoch (Barcelona), Rafael Chinchilla (Alicante), Juan M. Cuerva (Granada), M. Angeles Fernández Ibáñez (Amsterdam), Joseph P. A. Harrity (Sheffield), José M. Lassaletta​​​​​​​/Rosario Fernández (Sevilla), Esther Lete/Nuria Sotomayor (UPV-EHU), Rubén Martín (ICIQ), Belén Martín-Matute (Stockholm), David Mecerreyes (Polymat/UPV-EHU), María Paz Muñoz (East Anglia), Claudio Palomo (UPV-EHU), Jose Perez Sestelo (A Coruña), Carlos del Pozo (Valencia), László Nagy (Szeged), Carmen Nájera (Alicante), Cristina Nevado (Zürich), Ernesto Occhiato (Florence), Pere Romea/Felix Urpí (Barcelona), Floris Rutjes (Nijmegen), Haritz Sardón (Polymat/UPV-EHU), Esteban Urriolabeitia (Zaragoza), Béla Visckolcz (Misckolc), Georgios Vougioukalakis (Athens), Alexandros Zografos (Thessaloniki)