About me

I am a computational scientist specialized in theoretical chemistry and physics, with expertise in development of scientific software. My work spans molecular dynamics, symmetry analysis, quantum chemistry, solid state physics and quantum computing.

Professional career

Research collaborator, Donostia International Physics Center
I am developing quantum computing algorithms for quantum chemistry

Senior Researcher, Multiverse Computing
Quantum Computing Scientist at Multiverse Computing, developed algorithms for quantum chemistry simulations using different tools, including quantum computing, tensor networks and machine learning techniques.

Postdoctoral Researcher, Donostia International Physics Center
Focused on excited-state simulations of molecular systems. I Developed new functionalities for Q-Chem, including RASCI methods, molecular orbital localization, and diabatization schemes. Created Kimonet, a kinetic Monte Carlo software for exciton dynamics, and PyQchem, a Python interface for automating Q-Chem workflows.

Postdoctoral Researcher, Kyoto University
Studied anharmonic properties of inorganic crystals. Developed open-source tools DynaPhoPy and phonoLAMMPS, widely used in materials science. Collaborated with EPFL on AiiDA plugins for automating workflows in computational materials science.

PhD student, Universitat de Barcelona
Worked on molecular shape and symmetry measures and molecular rotor dynamics. Specialized in developing computational tools for molecular simulations, including Monte Carlo methods, molecular dynamics and symmetry analysis.