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Asureda/README.md

Hi 👋, I'm Alexandre Sureda Croguennoc

Computational Chemistry & Physics

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  • 🔭 I’m currently working on Computational simulations in the field of Fusion Energy at IDOM Consulting, Engineering, Architecture - Computational Transport Phenomena team (CTP) and currently collaborating as a Msc student with the BioPhysChem group at the Institut de Química Teórica i Computacional de Catalunya.

  • 🌱 I’m currently learning Computational biophysics. Data science and machine learning. Neutronic simulations in the field of nuclear fusion.

  • 👯 I’m looking to collaborate on developing software in the scientific and HPC fields

  • 💬 Ask me about Statistical physics, Molecular Dynamics, Transport phenomena, Computer Science, HPC, Nuclear fusion, Neutronic simulations, Polymer science

  • 📫 How to reach me alexandre.sureda@idom.com, asuredcr7@alumnes.ub.edu

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Languages and Tools Summary:

bashpythonfortrandockergitlinuxcirclecipandaspandasscipyseabornopenmpimathematica

Pinned Loading

  1. coarse_grain_polyelectrolytecoarse_grain_polyelectrolytePublic

    Influence of charge regulation on conformational ,ionization properties and dynamics of polyelectrolytes

    Jupyter Notebook 2

  2. bead-spring-polymerbead-spring-polymerPublic

    Brownian dynamics simulation of a coarse-grained bead and spring polymer chain

    Fortran

  3. hartree_fockhartree_fockPublic

    Hartree Fock project of the Msc in Atomistic and Multiscale Computational Modelling in Physics, Chemistry and Biochemistry

    Python

  4. ParallelMolecularDynamicsParallelMolecularDynamicsPublic

    NVT molecular dynamics simulation using MPI algorithms

    Fortran 1

  5. Ising-ModelIsing-ModelPublic

    Equilibrium Monte Carlo simulation of the 2D Ising model

    Python

  6. Monte-Carlo-EpidemicsMonte-Carlo-EpidemicsPublic

    Monte Carlo SIR model with different scenarios

    Fortran