TREMOLO-X

A Parallel Molecular Dynamics Software Package

Overview

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.

© Fraunhofer SCAI
© Fraunhofer SCAI
© Fraunhofer SCAI

History

Tremolo-X has been implemented over the last decade by the research group of Michael Griebel at the → INS

Since 2010 it is further devleoped by → SCAI in cooperation with the INS and is distributed by SCAI and the scapos AG