Shypd.aiThe largest open index of AI toolsferminet is an open-source research tool that implements the Fermionic Neural Network for ab-initio electronic structure calculations. It helps researchers learn highly accurate ground state wavefunctions of atoms and molecules.
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ferminet is an open-source implementation of the Fermionic Neural Network, developed by Google DeepMind, designed for ab-initio electronic structure calculations. This tool utilizes a variational Monte Carlo approach to learn highly accurate ground state wavefunctions of atoms and molecules. It allows researchers to solve the many-electron Schrödinger Equation with deep neural networks, supporting both ground and excited state calculations. The repository provides a JAX implementation, with installation instructions for CPU and GPU environments. Users can configure calculations for various atoms and molecules, including multi-GPU parallelization for larger systems, and analyze outputs for energy, MCMC acceptance probability, and other observables.
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