Software & Computational Physics

Code as a scientific instrument.

I develop and use tools for atomistic simulation, molecular dynamics, data analysis, and reproducible computational workflows.

Flagship scientific software

jperaltac/lpmd2

LPMD 2 — a modular environment for molecular dynamics.

The modern Las Palmeras Molecular Dynamics distribution brings together the liblpmd core, plugins, command-line tools, visualization, rendering, and examples in a C++17 and CMake-based structure.

It is the project that best represents the continuity between research, software engineering, and computational physics education.

Open repository Reference paper

Comparison of empirical and Lennard–Jones interaction potentials

LPMD 2C++17 · CMake

01 liblpmd · simulation core

02 plugins · analysis · visualization

Molecular dynamics / scientific computing

Explorations and tools

Repositories worth sharing.

The selection is intentionally focused: it highlights work that is readable, reusable, and has a clear identity.

Scientific interoperability

lpmd2lmp

A Python and NumPy converter from LPMD 2.0 configurations to simple LAMMPS inputs, with configurable templates.

PythonNumPyLAMMPS

Open repository

Mathematical exploration of the Mandelbrot set

Visual computing

mandelbrot-deep-zoom

A TensorFlow generator for deep Mandelbrot exploration and smooth animations on CPU or GPU.

TensorFlowGPUVisualization

Open repository

Automation

fillforms

A Python utility for filling DOCX templates from tabular data in repeatable workflows.

PythonDOCXData

Open repository

Code for learning

Open, reproducible teaching materials.

These repositories make the learning process visible through theory, numerical experiments, visualization, and programming practice.

Computational models

PCFI261

Weekly course materials with slides and Python examples covering integration, molecular dynamics, cellular automata, machine learning, and more.

PythonBeamerPhysics

Open repository

Computing workshop

erpi5

A six-day Spanish-language Raspberry Pi 5 ClusterLab workshop covering Linux, C, Python, and high-performance computing.

HPCRaspberry PiTeaching

Open repository