A general purpose library to study vibrational problems using diffusion monte carlo
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Sep 26, 2024 - Python
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diffusion-monte-carlo
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Diffusion Monte Carlo method
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Nov 2, 2018 - C++
jQMC code implements two real-space ab initio quantum Monte Carlo (QMC) methods. Variatioinal Monte Carlo (VMC) and lattice regularized diffusion Monte Carlo (LRDMC) methods. jQMC achieves high-performance computations especially on GPUs.
python3 neural-networks gpu-acceleration flax gpu-computing quantum-monte-carlo electronic-structure jax variational-monte-carlo diffusion-monte-carlo ab-initio-simulations optax neural-quantum-states
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Dec 8, 2025 - Python
Diffusion Quantum Monte Carlo With Gaussian Guiding Wave Functions
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Dec 30, 2021 - Fortran
Diffusion Monte Carlo(DMC) Calculations of simple harmonic oscillator(SHO) system.
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Dec 28, 2020 - Fortran
The aim of this project is to compute the Helium nucleus ground state under an harmonic oscilator potential, using variational Montecarlo model and diffusion Montecarlo model.
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Oct 6, 2022 - Jupyter Notebook
This is the GitHub repo to support the manuscript "Machine Learning Approaches for Developing Potential Surfaces: Applications to OH−(H2O)n (n = 1 − 3) Complexes"
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Mar 14, 2025 - Jupyter Notebook
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