Software

I am developer of various scientific software packages, among them Ludwig, our lattice-Boltzmann code for simulation of complex fluids.

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Discrete lattice-Boltzmann grid

Ludwig (http://ludwig.epcc.ed.ac.uk) is a software package for simulation of soft matter and complex fluids. The package takes its name from Ludwig Boltzmann, since it uses the lattice-Boltzmann method for solving the hydrodynamic Navier-Stokes equation. However, it is also possible to combine the lattice-Boltzmann method with a range of other methods for simulation of complex fluid systems.  Ludwig can be deployed on various computing architectures ranging from simple workstations to large HPC systems, including those with NVIDIA GPU or Intel Xeon Phi co-processors and accelerators.

Ludwig is open source software and available from our central repository at CCPForge.

col_disc_x_run1341

New soft colloid-liquid crystal composite material simulated with Ludwig

 

I am also author of the LAMMPS implementation of oxDNA, a model for coarse-grained simulation of DNA and RNA, which is based on the popular LAMMPS Molecular Dynamics Simulator, available from Sandia National Laboratories, USA.

The LAMMPS implementation of oxDNA [1-3] is distributed as LAMMPS USER-package and available for download from the LAMMPS webpage. Please visit the online manual and the section on the USER-CGDNA package for more information.

The model is also available from our central repository at CCPForge. This distribution includes also the twistable elastic polymer model of DNA (TEP) [4].

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DNA nanoring modelled with oxDNA

[1] T. E. Ouldridge, A. A. Louis and J. P. K. Doye, J. Chem. Phys134, 085101 (2011).
[2] P. Šulc, F. Romano, T. E. Ouldridge, J. P. K. Doye, A. A. Louis,  J. Chem. Phys. 140, 235102 (2014).
[3] B.E. Snodin, F. Randisi, M. Mosayebi, et al., J. Chem. Phys. 142, 234901 (2015).
[4] C.A. Brackley, A.N. Morozov, D. Marenduzzo, J. Chem. Phys.  140, 135103 (2014).

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