European Centre of Excellence

Supporting HPC simulations in industry and academia through software development, training and discussion in simulation and modeling

Modules of the month

What is a module?


  • Path density for OpenPathSampling

    Module path density implements path density calculations for the OpenPathSampling (OPS) package, including a generic multidimensional sparse histogram, and plotting …
  • Second-Order Differencing Scheme

    This module, SodLib, provides exact wavefunction propagation using the second-order differencing (SOD) integrator scheme to solve the time-dependent Schrödinger equation …
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We are currently working on a programme of events for 2018. Expected release: 20 November 2017. Stay-tuned!

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