Skip to content
View SantiagoMorandi's full-sized avatar
🎯
Focusing
🎯
Focusing
31 followers · 42 following

Achievements

Achievement: Pull SharkAchievement: Starstruck

Achievements

Achievement: Pull SharkAchievement: Starstruck

Block or report SantiagoMorandi

Block user

Prevent this user from interacting with your repositories and sending you notifications. Learn more about blocking users.

You must be logged in to block users.

Content in all repositories owned by your account will be closed.
Maximum 250 characters. Please don’t include any personal information such as legal names or email addresses. Markdown is supported. This note will only be visible to you.
Report abuse

Contact GitHub support about this user’s behavior. Learn more about reporting abuse.

Report abuse
SantiagoMorandi/README.md
  • 👋 Hi, I’m @SantiagoMorandi, chemical engineer and postdoc at the Institute of Chemical Research of Catalonia (ICIQ, Spain) in the research group of Prof. Núria López.
  • 👀 I’m interested in heterogeneous catalysis (atomic-scale simulations, microkinetic modeling, transport phenomena), process engineering (Reactor design and process control), and Machine Learning.
  • 🌱 My research focuses on the implementation of ML models (Graph neural networks and LLMs) in the field of atomistic modeling, and in the automated generation of chemical reaction networks.
  • 💞️ I’m looking to collaborate on chemistry- and ML-related problems!
  • 📫 Contact me by sending an email to santiagomorandi@yahoo.it

Pinned Loading

  1. LopezGroup-ICIQ/care LopezGroup-ICIQ/care Public

    Automated creation and manipulation of chemical reaction networks (CRNs) in heterogeneous catalysis, powered by state-of-the-art ML evaluators and Julia-solvers for microkinetic modelling.

    Python 96 14

  2. LopezGroup-ICIQ/gamenet_uq LopezGroup-ICIQ/gamenet_uq Public

    Repo of GAME-Net-UQ, a graph neural network with uncertainty quantification for predicting the DFT energy of adsorbed intermediates and transition states on monometallic surfaces.

    Python 20

  3. LopezGroup-ICIQ/amuse LopezGroup-ICIQ/amuse Public

    Code repo of Automated MUltiscale Simulation Environment (AMUSE) for multiscale modeling of heterogenous catalytic reactions

    HTML 27 6

  4. LopezGroup-ICIQ/pymkm LopezGroup-ICIQ/pymkm Public

    Microkinetic modeling package for heterogeneous catalysis (both thermal and electro-catalytic systems).

    Python 9