J. EMILIANO DEUSTUA

Computational chemist · Co-founder @ Examol · Scientific software

Molecular structure rendered as part of computational chemistry research

I'm a co-founder and COO at Examol, where we use enhanced sampling, computational biology, and AI to tackle hard problems in biotech. I'm also a co-founder at Certezia, where we're simplifying digital signing in Peru with the new DNIe.

Previously: software engineer at Emptor.io, postdoc in Tom Miller's group at Caltech, and PhD with Piotr Piecuch at Michigan State. Read my full CV (PDF) →

Open source

I like open source software, especially the scientific kind:

  • ccpy — Python coupled-cluster & EOM-CC library
  • ccq — CC methods up to quadruply excited
  • cct3 — PSI4 plugin for CC(t;3)
  • wickedtree — symbolic Wick's theorem
  • peru-dnie — DNIe signing toolkit