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TECHNOLOGICAL SUPPORT FOR COMPUTATIONAL CHEMISTRY SIMULATIONS
Our study concerns code development activities, porting and grand-challenge simulations support for computational chemistry projects.
In collaboration with the University of Rome La Sapienza (Alfredo Di Nola, Francesco A. Gianturco, Viorel Pavel e Ruggero Caminiti) and Tor Vergata (Alessandro Desideri), the University of Naples Federico II (Vincenzo Barone) and Bari CNR (Mario Cacciatore), we are experimenting on:
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Innovative codes of classical molecular dynamics of bio-molecules and metallic ions in solution;
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Scattering of neutral and charged particles (ions, electrons, positrons);
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Molecule/surface interaction.
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Home Page-->Projects and collaborations-->Computational chemistry
