Current members


Josep M Anglada

Senior researcher

I graduated in Chemistry at the Autonomous University of Barcelona and I got my PhD in 1985 at the same University.

My PhD work focused on the investigation of electronic excited states of transition metal hydrides and was performed at the University of Bonn, Germany. It was supervised by Prof. Sigrid D. Peyerimhoff and by Dr. Pablo J. Bruna.

After working in a private enterprise, I joined CSIC in 1990. Since then my main research lines involve investigation on oxidation reactions, with special emphasis on chemical processes occurring in the Earth’s atmosphere.

I graduated in Chemistry (Physical Chemistry) at the University of Barcelona in 1996. I obtained my PhD on reaction mechanisms in Atmospheric Chemistry under the supervision of Josep M. Anglada in 2001. I then switched gears to study biomolecules at the Institute of Structural Biology (Grenoble, France).

My current research line is Protein dynamics and enzyme catalysis.
I am very fond of Python and I think computational chemists could improve a lot their productivity by knowing some of the tools this language offers.

I’ve been teaching programming (Fortran and Python) and numerical methods since 2011. First, at the “Master in Computational Chemistry” and currently at the Master in Atomistic and Multiscale Computational Modelling in Physics, Chemistry, and Biochemistry

Adrià Villacrosa

MSc student

Adrià graduated in physics at the Universitat Autònoma de Barcelona and then moved to Copenhagen (Denmark) to enroll in the Master of Science in Physics. He is now working in the simulation of liquid-liquid phase separation of the disordered region of several transcription factors and implementing new methods.

Gil Murria

MSc student

Gil studied chemistry at the Universitat de Barcelona and he is now doing the master Modelling for Science and Engineering at the Universitat Autònoma de Barcelona. He is working in the simulation of liquid-liquid phase separation of several intrisically disordered regions of transcription factors.

Former members

Santiago Olivella was the founder of the CTC group and he was Emeritus Professor until October 2014, when he retired. He was one of the pioneers in introducing Computational Chemistry in Catalunya and was also one of the promoters of the Catalan Network of Theoretical and Computational Chemistry.

Several PhD students and post-doc have belonged to our group. Maybe they can give you the most unbiased opinion of our group… so feel free to contact them (They have gladly accepted to be contacted to talk about their experience in the group).

Susana Barrera-Vilarmau  [Contact]

Susana had a PhD fellowship under the supervision of Ramon Crehuet. She focussed on the study of intrinsically disordered proteins (IDPs) and how to integrate data from simulations and (NMR and SAXS) experiments.

Ferran Planas. [Contact]
After doing his Bc.S. project with Ramon Crehuet, he joined the group of Silvia Osuna in Girona

Simona Tusar. [Contact]
She did a stay with Josep M Anglada as part of her PhD at the Jožef Stefan Institute, Ljubljana, Slovenia

Melchor Sanchez-Martinez. [Contact]
After finishing his PhD with of Ramon Crehuet, in 2015, he joined MindTheByte ( a computational company devoted to drug development.

Enrique Marcos.
After finishing his PhD with Ramon Crehuet in 2012, he joined David Baker’s lab in Seatle (USA) with a Marie Curie International post-doc fellowship.

Miquel Torrent-Sucarrat. [Contact]
After finishing a post-doc with Josep M Anglada in 2012 he joined the University of Donostia.

Alex Mansergas [Contact]
After finishing his PhD with Josep M Anglada in 2008, he joined Astra-Zeneca in Barcelona.

Aurora Jiménez. [Contact]
After finishing her PhD with Ramon Crehuet in 2010, she joined Torres group in the Barcelona province.

Philippe Aplincourt. [Contact]
After doing a post-doc stay in 2000- 2001 with Josep M. Anglada, he went to work at ESPE, Nice France.

Javier González.

After finishing a post-doc with Josep M Anglada in 2011 he joined the group of Manuel Ruiz-Lopez in Nancy (France).