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Pablo Daniel Álvarez Hernández

Scientific Software

Modular tools for computational chemistry, scientific visualization, and reproducible molecular research.

CADMIA

Active

Computational Agent-Driven Molecular Intelligence Architecture

A modular CLI suite for studying nanocluster reactivity and adsorption with quantum chemistry (Gaussian 16, ORCA 5/6), built around a common data core with full scientific traceability.

  • CLI
  • Quantum Chemistry
  • Nanoclusters
  • Adsorption
Repository — Coming soonDocumentation — Coming soonReleases — Coming soonDemo — Coming soon

VISQ

Active

Visualizer for Interactive Static Quantum Chemistry

A modern, modular platform for visualizing and analyzing the results of static quantum-chemistry calculations — molecular structures, electronic properties, orbitals, densities and scalar fields — with an architecture designed to remain maintainable and extensible for the long term.

  • Molecular Visualization
  • Orbitals
  • Electron Density
  • Scalar Fields
Repository — Coming soonDocumentation — Coming soonReleases — Coming soonDemo — Coming soon