Krotov: A Python implementation of Krotov's method for quantum optimal control

M Goerz, D Basilewitsch, F Gago-Encinas, MG Krauss… - SciPost physics, 2019 - scipost.org
We present a new open-source Python package, krotov, implementing the quantum optimal
control method of that name. It allows to determine time-dependent external fields for a wide …

[HTML][HTML] Measurement of coherent vibrational dynamics with X-ray Transient Absorption Spectroscopy simultaneously at the Carbon K- and Chlorine L2,3- edges

AD Ross, D Hait, V Scutelnic, DM Neumark… - Communications …, 2024 - nature.com
Abstract X-ray Transient Absorption Spectroscopy (XTAS) is a powerful probe for ultrafast
molecular dynamics. The evolution of XTAS signal is controlled by the shapes of potential …

FSSH-2: Fewest Switches Surface Hopping with robust switching probability

L Araujo, C Lasser, B Schmidt - Journal of Chemical Theory and …, 2024 - ACS Publications
This study introduces the FSSH-2 scheme, a redefined and numerically stable adiabatic
Fewest Switches Surface Hopping (FSSH) method for mixed quantum-classical dynamics. It …

Herman-Kluk propagator is free from zero-point energy leakage

M Buchholz, E Fallacara, F Gottwald, M Ceotto… - Chemical Physics, 2018 - Elsevier
Quasiclassical techniques constitute a promising route to approximate quantum dynamics
based on classical trajectories starting from a quantum-mechanically correct distribution …

QEngine: A C++ library for quantum optimal control of ultracold atoms

JJ Sørensen, JHM Jensen, T Heinzel… - Computer Physics …, 2019 - Elsevier
We present the first version of the QEngine, an open-source C++ library for performing
optimal control of ultracold quantum systems. The most notable systems presented here are …

Solving the time-independent Schrödinger equation for chains of coupled excitons and phonons using tensor trains

P Gelß, R Klein, S Matera, B Schmidt - The Journal of Chemical …, 2022 - pubs.aip.org
We demonstrate how to apply the tensor-train format to solve the time-independent
Schrödinger equation for quasi-one-dimensional excitonic chain systems with and without …

[HTML][HTML] Very accurate time propagation of coupled Schrödinger equations for femto-and attosecond physics and chemistry, with C++ source code

J Kozicki - Computer Physics Communications, 2023 - Elsevier
In this article, I present a very fast and high-precision (up to 33 decimal places) C++
implementation of the semi-global time propagation algorithm for a system of coupled …

Introduction to theoretical and experimental aspects of quantum optimal control

Q Ansel, E Dionis, F Arrouas… - Journal of Physics B …, 2024 - iopscience.iop.org
Quantum optimal control (QOC) is a set of methods for designing time-varying
electromagnetic fields to perform operations in quantum technologies. This tutorial paper …

Quantum and classical annealing in a continuous space with multiple local minima

YW Koh, H Nishimori - Physical Review A, 2022 - APS
The protocol of quantum annealing is applied to an optimization problem with a one-
dimensional continuous degree of freedom, a variant of the problem proposed by Shinomoto …

WavePacket: A Matlab package for numerical quantum dynamics. III. Quantum‐classical simulations and surface hopping trajectories

B Schmidt, R Klein… - Journal of Computational …, 2019 - Wiley Online Library
WavePacket is an open‐source program package for numerical simulations in quantum
dynamics. Building on the previous Part I (Schmidt and Lorenz, Comput. Phys. Commun …