A general purpose library to study vibrational problems using diffusion monte carlo
-
Updated
Sep 26, 2024 - Python
#
diffusion-monte-carlo
Here are 6 public repositories matching this topic...
Diffusion Monte Carlo method
-
Updated
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 gpu-acceleration gpu-computing quantum-monte-carlo electronic-structure jax variational-monte-carlo diffusion-monte-carlo ab-initio-simulations
-
Updated
Sep 12, 2025 - Python
Diffusion Quantum Monte Carlo With Gaussian Guiding Wave Functions
-
Updated
Dec 30, 2021 - Fortran
Diffusion Monte Carlo(DMC) Calculations of simple harmonic oscillator(SHO) system.
-
Updated
Dec 28, 2020 - Fortran
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"
-
Updated
Mar 14, 2025 - Jupyter Notebook
Improve this page
Add a description, image, and links to the diffusion-monte-carlo topic page so that developers can more easily learn about it.
Add this topic to your repo
To associate your repository with the diffusion-monte-carlo topic, visit your repo's landing page and select "manage topics."