Fast and simple way to electronic structure methods.
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Updated
Jun 12, 2024 - C++
Fast and simple way to electronic structure methods.
Quantum Toolbox in Julia
Projected time-dependent Variational Monte Carlo (p-tVMC) method based on infidelity optimization for variational simulation of quantum dynamics.
An efficient Julia framwork for Hierarchical Equations of Motion (HEOM) in open quantum systems
Tensor network based quantum software framework for the NISQ era
Website of the (Molecular) Quantum Dynamics Lab at Haverford College
A Python package for numerical quantum mechanics of chain-like systems based on tensor trains
DynEMol: tools for studying Dynamics of Electrons in Molecules
This module enables to use potentials extracted from the literature. It has the following features: * One or several degrees of freedom * One or several electronic states * For each electronic state, the energy, gradient and hessian can be obtained in the diabatic or adiabatic representations
Generate Kinetic Energy Operators (KEO) with curvilinear coordinates (z-matrix, polyspherical ...)
Quantum dynamics engine for one- and two-dimensional systems
Matlab codes used to generate the figures in the paper 'Fermi's golden rule: its derivation and breakdown by an ideal model', Eur. J. Phys. 37 065406 (2016)
Matlab codes used to generate the figures in the paper 'Sudden jumps and plateaus in the quench dynamics of a Bloch state', EPL 116, 10008 (2016)
Matlab codes used to generate the figures in the paper 'Cusps in the quench dynamics of a Bloch state', EPL 114, 60001 (2016)
Matlab codes used to generate the figures in the paper 'Nonsmooth and level-resolved dynamics illustrated with the tight binding model', arXiv:1404.4280
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.
MLQD is a Python Package for Machine Learning-based Quantum Dissipative Dynamics
General quantum dynamics code using curvilinear coordinates and a numerical kinetic energy operator (with Tnum) : (i) Vibrational levels, intensities for floppy molecular system (ii) Wave-packet propagation with or witout time dependant Hamiltonian (iii) Quantum gate and optimal control.
C++ code to compute electron trajectories in molecular orbitals using spin-dependent quantum hydrodynamics
Real-time TDDFT for Quantum-Espresso
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