Computer framework for MD simulations of LDHs with Gromacs
Coarse-grain MD simulations of aqueous solutions of silicates and surfactants

Computational resources

SOFTWARE: Access to a wide variety of computer codes for classical and quantum simulations. Some examples are Gaussian, Gromacs, Quantum Espresso, RASPA and VASP. For additional information please follow this link.

HARDWARE: Access to the CICECO's cluster of computers (Flamingo) and to the University of Aveiro shared cluster of computers (Argus), and also to several in-house workstations. Further details are provided in the following link.

Suggested places on the web

Computing and Modelling @ CICECO
CMS Day 2017
CASE 2016
CAMD 2015
The J2 meeting