Stars
A deep learning package for many-body potential energy representation and molecular dynamics
Symmetry-Adapted Learning of Three-dimensional Electron Densities (and their electrostatic response)
Fast, hackable neural-network force fields and molecular dynamics in JAX.
Efficient parallel quantum chemistry DMRG in MPO formalism
The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field
Deep Modeling for Molecular Simulation 2024, four-day in-person workshop, June 25-28, 2024
A beautiful, simple, clean, and responsive Jekyll theme for academics
Cavity molecular dynamics simulations for vibrational strong and ultrastrong coupling, including code implementation, job submission, data post-processing and plotting.
Quantum wavepacket simulation using split operator method