/tools/deepqmc

deepqmc

deepqmc/deepqmc

410 stars62 forksPythonAdded February 8, 2026
summary

DeepQMC is an open-source software suite that utilizes deep learning for variational optimization of molecular wave functions in quantum Monte Carlo simulations. It allows for the simulation of electronic ground and excited states, making it a valuable tool in the field of quantum chemistry.

description

Deep learning quantum Monte Carlo for electrons in real space

topics

quantum-chemistryquantum-monte-carlodeep-learningelectrons

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