Skip to content
View amannsonii3's full-sized avatar
4 followers · 45 following

Highlights

  • Pro

Block or report amannsonii3

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.

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
amannsonii3/README.md

Hey there! 👋 I'm Aman Soni

🧬 Computational Chemist | DFT Enthusiast | MLIP Developer | Generative Modeler

"Describing nature from the quantum dance of eigenstates and eigenvalues"

I specialise in Density Functional Theory (DFT), Machine Learning Interatomic Potentials (MLIPs) and Generative modelling. Am working at the intersection of quantum chemistry and artificial intelligence to solve the inverse design problem.

Current Focus 🎯

  • Interpreting reactivity from structure's chemical respresentations to create novel catalysts.

Technical Arsenal 🛠️

  • Quantum Chemistry: Electronic structure theory, Statistical Thermodynamics, Molecular Dynamics
  • Computational Tools: pymatgen, ASE, Sella, VASP, Quantum ESPRESSO, ORCA, Gaussian, LAMMPS, Qiskit

🧠 Philosophy

Does nature truly have exponential compute or there exists an elegant solution to resolving it?

🤝 Let's Connect

LinkedIn Twitter

Pinned Loading

  1. ACEsuit/mace ACEsuit/mace Public

    MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.

    Python 1.3k 451