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vmfreixas/README.md

Hi there 👋

My name is Victor M. Freixas, I am a computational scientist bridging electronic structure, molecular simulation, and ultrafast spectroscopy.

🔒 Highlights

  • Excited-State Simulation Algorithms – Designed novel algorithms enabling simulations of >200-atom systems, applied to dendrimers and organic photovoltaics.
  • Publications & Scientific Impact – Authored 40+ peer-reviewed articles spanning physical chemistry, computational science, and interdisciplinary collaborations.
  • High-Performance Computing Workflows – Scaled large-scale MD and QM simulations across national HPC clusters, optimizing performance for cutting-edge research.
  • Interdisciplinary Collaboration – Bridged physics, chemistry, and computation, partnering with experimental and theoretical groups to deliver reproducible, impactful results.

🧰 Toolbox

Badges:

Python Fortran MPI NWChem

Popular repositories Loading

  1. tr-XPES tr-XPES Public

    This package calculates time-resolved X-ray Photoelectron Spectroscopy (tr-XPES) signals.

    MATLAB 1

  2. Plotting_chiral_response Plotting_chiral_response Public

    This package prepares chiral response contributions to be plotted as molden files

    Jupyter Notebook 1

  3. Euler_Lagrange_Solutions Euler_Lagrange_Solutions Public

    Auto-derive Euler–Lagrange equations from a Lagrangian; integrate and visualize in Jupyter.

    Python 1

  4. vmfreixas vmfreixas Public

    1

  5. STO_Gaussian_overlaps STO_Gaussian_overlaps Public

    This package calculates the overlaps between Slater Type Orbitals and Gaussian Type Orbitals, in particular STO-3G.

    Jupyter Notebook 1