Raul P. Pelaez

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I’m a physicist, research software engineer, and consultant specializing in GPU high-performance computing, simulation of complex systems, and machine learning for the physical sciences.

With over a decade of experience at the interface of physics, computer science, and biology, I help research teams and companies develop robust, high-performance software for scientific discovery. My background includes a Ph.D. in Physics from Universidad Autónoma de Madrid, postdoctoral research at New York University and Universitat Pompeu Fabra, and teaching at IE University.

I’ve contributed to major open-source simulation platforms like OpenMM, TorchMD-NET, and UAMMD, and have led projects involving GPU acceleration, fluctuating hydrodynamics, and neural network potentials. Whether building custom simulation pipelines, optimizing molecular dynamics code, or designing machine learning integrations, I bring a pragmatic, research-savvy approach to scientific software challenges.

As a freelance consultant, I offer mentoring and training in scientific programming best practices, as well as custom development of high-performance scientific software.

If you’re working on a scientific or technical problem that needs fast, reliable, and scalable code, let’s talk.

Contact

Send me an email to contact@raulppelaez.com

Trusted by

These are some of my previous and ongoing collaborations.

Selected publications

  1. A fast spectral method for electrostatics in doubly periodic slit channels
    Ondrej Maxian, Raúl P Peláez, Leslie Greengard, and 1 more author
    The Journal of Chemical Physics, 2021
  2. OpenMM 8: molecular dynamics simulation with machine learning potentials
    Peter Eastman, Raimondas Galvelis, Raúl P Peláez, and 8 more authors
    The Journal of Physical Chemistry B, 2023
  3. Universally Adaptable Multiscale Molecular Dynamics (UAMMD). A native-GPU software ecosystem for complex fluids, soft matter, and beyond
    Raúl P Peláez, Pablo Ibáñez-Freire, Pablo Palacios-Alonso, and 2 more authors
    Computer Physics Communications, 2025
  4. Spectral solver for the oscillatory Stokes frequency-based equation in doubly periodic confined domains
    Raúl P Peláez, Pablo Palacios-Alonso, and Rafael Delgado-Buscalioni
    Journal of Fluid Mechanics, 2025