Quantum dynamics

Website of the (Molecular) Quantum Dynamics Lab at Haverford College

Practical session for the Quantum Dynamics course of the "Atomistic and Multiscale Computational Modelling" Master Degree. Course 2022-2023.

Code and data for our paper in JPCL "One-Shot Trajectory Learning of Open Quantum Systems Dynamics" https://doi.org/10.1021/acs.jpclett.2c01242

Script for data generation and Code for our article "Predicting the future of excitation energy transfer in light-harvesting complex with artificial intelligence-based quantum dynamics"

A Python package for numerical quantum mechanics of chain-like systems based on tensor trains

Gutzwiller state for the Bose-Hubbard model, with complex and site-dependent coefficients

Projected time-dependent Variational Monte Carlo (p-tVMC) method based on infidelity optimization for variational simulation of quantum dynamics.

Tensor network based quantum software framework: next generation

This is a package developed in the Mesoscience Lab to perform Hierarchy of Pure State (HOPS) calculations using an adaptive basis that provides size-invariant scaling for large systems.

A tool to model the bath relaxation dynamics of open quantum systems by Lindblad and Hierarchical Equations of Motion (HEOM) approaches.

QuGIT is a numerical toolbox in Python for simulation of gaussian quantum states and their time evolution through unconditional and conditional dynamics

Quantum dynamics package based on tensor network states

Pytorch differentiable molecular dynamics

Tensor network based quantum software framework for the NISQ era