Towards quantitative cell biology through AI-driven software engineering for molecular simulations

6-8 May 2024

6th May 2024 07:00 AM
8th May 2024 16:00 PM
Scuola Normale Superiore, Pisa (Italy)

Numerous codes have been developed for biomolecular simulations. These codes have been optimized to run on advanced architectures such as GPU accelerators with high efficiency. Unfortunately, however, some of these codes are specialized and they might encounter difficulties to be broadly applicable, adaptable, and ready to tackle grand challenge problems in phenomena that involve many biological partners, such as neuronal signaling or the entry of virus in its target host cell.

The CECAM Flagship Workshop on “Towards quantitative cell biology through AI-driven software engineering for molecular simulations” will bring together both computational biophysicists and computer science specialists to develop strategies for advancing artificial intelligence and software engineering tools in molecular simulation. We will present both methods developments and current state-of-the-art applications. The event will be complemented by few keynote lectures by experimental colleagues who will describe fascinating large-scale subcelluar processes yet to be described by molecular simulation. We hope that the workshop will help transition the current specialized algorithms into broadly applicable codes.

The workshop follows several other CECAM conferences in Pisa dedicated to advances in biomolecular simulation, in the beautiful settings of the library room of the Scuola Normale Superiore in Pisa downtown.

More information on the workshop website


  • Paolo Carloni (Juelich Research Center, Germany)
  • Giuseppe Brancato (Scuola Normale Superiore, Pisa, Italy)
  • Tom Beck (Oak Ridge National Laboratory, USA)
  • Marco De Vivo (Istituto Italiano di Tecnologia, Genoa, Italy)
Last Modified: 12.06.2024