Molecular modelling and computer-driven materials design
Using molecular modelling computer software has a proven potential for streamlining and optimizing development processes such as pharmaceuticals and nanomaterials. In the Department of Chemistry we have an advanced computational platform, including High Performance Computers and advanced software packages, enabling a wide variety of calculations (quantum computations, classical simulations like molecular dynamics, multiscale simulations, docking, machine learning, and more) on systems ranging from the atomic level to the crystal lattice cell unit. The calculations are carried out by several research groups with many years of experience in computational chemistry, both in academia and industry.
Last Updated Date : 26/11/2020