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Machine learning software and library for developing interatomic potentials.

Ab Initio Augmented Structure Solving Engine

Hybrid methodology combining Empirical Potential-based Structure Refinement (EPSR) fitting of total scattering data with first-principles quantum mechanical calculations (Density Functional Theory).

QuantiCam Firmware for the OpalKelly board reading the QuantiCam SPAD sensor array.

Ab Initio Augmented Structure Solving Engine

Hybrid methodology combining Empirical Potential-based Structure Refinement (EPSR) fitting of total scattering data with first-principles quantum mechanical calculations (Density Functional Theory).

Stable and closed version of the AIASSE package (v1.0)

Current CPU version of our solver for the Navier-Stokes equations

Examples to support our Slurm Compute Cluster documentation: www.ph.ed.ac.uk/slurm

Here you will find instructions on how to perform and analyse Molecular Dynamics simulations of DNA with different models.