Welcome to jQMC

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.

The following features of jQMC are highlighted:

• Variational Monte Carlo: Wavefuntion Optimization (VMC)

• Lattice Regularized Diffusion Monte Carlo (LRDMC)

• Atomic forces calculations by VMC and LRDMC

• JAX-compaible modules

• Interfaces with the TREX-IO wavefunction format

License

BSD-3-Clause license.

Developer(s)

• Kosuke Nakano, National Institute for Materials Science

Acknowledgements

jQMC development is supported by:

• National Institute for Materials Science (NIMS).

• Japan Science and Technology Agency (JST), PRESTO program.

• Hpc AlliaNce for Applications and supercoMputing Innovation: the Europe - Japan collaboration