Welcome to the Concept Lab

 
The CONCEPT Lab started in 2014, in the IIT headquarters in Genova, under the direction of Dr. Walter Rocchia. Within this team, scientists of different background, from chemistry to engineering, work side-by-side with the main goal to foster the transformation of ideas and models into highly efficient computational implementations.
 

At present, we are focusing our efforts along the following main directions:

  • developing new algorithms to accelerate the simulation of processes of pharmaceutical and biological relevance, such as the interaction between proteins and drug candidates;
  • improving the description of systems from the nanoscale to the mesoscale by means of continuum electrostatics and advanced implicit solvent methods, with particular attention devoted to the description and calculation of molecular surfaces;
  • developing highly scalable machine learning methods for the analysis of large data produced by microsecond-long molecular dynamics simulations.

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Work with us

We are sorry!  At the moment no openings are available.

Feel free to drop an email to Conceptlab at iit.it if you want to introduce yourself.

News

The Fall session of the CECAM flagship workshop "Advances in Electrostatic calculations: the road towards the Exascale” has started on September 1st! The recordings can be found on the Youtube Protein Electrostatics channel 

The CECAM flagship workshop “Advances in Electrostatic calculations: the road towards the Exascale” has started on July 29th! The recordings can be found on the Youtube Protein Electrostatics channel 

Artemi Bendandi got her PhD!

The Protein Electrostatics webinars have started!

Miguel Soler was awarded an ARDF grant!

We have got the Emerging Technologies in Computational Chemistry 2018 AWARD!

The Electrostatics Zone website will soon be absorbed into the Concept Lab site, but its content will be preserved!