Tremolo-X provides a basis for a computational environment for the design of innovative materials, and optimization of processes.
Tremolo-X is a powerful software package developed for the numerical simulation of interactions between atoms and molecules (molecular dynamics). It uses highly efficient state-of-the-art algorithms for the treatment of short- and long-range potentials. A wide range of potential types and parameter sets are included, which can be used for modeling of diverse systems.
Tremolo-X has been successfully applied in many practical projects in different areas. The focus is on computations in nanotechnology, material science, biochemistry and biophysics.
A special version of Tremolo-X forms the numerical engine of the ATK-ForceField module, developed in partnership with QuantumWise, for their Software QuantumATK. It can in particular be used directly together with DFT and semi-empirical methods. Currently, we are extending its functionality to be easily usable within a chemo- and materials-informatics context.