1 research outputs found
MATILDA.FT, a Mesoscale Simulation Package for Inhomogeneous Soft Matter
In this paper we announce the public release of a massively-parallel,
GPU-accelerated software, which is the first to combine both coarse-grained
molecular dynamics and field-theoretical simulations in one simulation package.
MATILDA.FT (Mesoscale, Accelerated, Theoretically-Informed, Langevin,
Dissipative particle dynamics, and Field Theory) was designed from the
ground-up to run on CUDA-enabled GPUs, with the Thrust library acceleration,
enabling it to harness the possibility of massive parallelism to efficiently
simulate systems on a mesoscopic scale. MATILDA.FT is a versatile software,
enabling the users to use either Langevin dynamics or Field Theory to model
their systems - all within the same software. It has been used to model a
variety of systems, from polymer solutions, and nanoparticle-polymer
interfaces, to coarse-grained peptide models, and liquid crystals. MATILDA.FT
is written in CUDA/C++ and is object oriented, making its source-code easy to
understand and extend. The software comes with dedicated post-processing and
analysis tools, as well as the detailed documentation and relevant examples.
Below, we present an overview of currently available features. We explain in
detail the logic of parallel algorithms and methods. We provide necessary
theoretical background, and present examples of recent research projects which
utilized MATILDA.FT as the simulation engine. We also demonstrate how the code
can be easily extended, and present the plan for the future development. The
source code, along with the documentation, additional tools and examples can be
found on GitHub repository.Comment: 18 pages, 9 figure