Machine learning for electronically excited states of molecules

J Westermayr, P Marquetand - Chemical Reviews, 2020 - ACS Publications
Electronically excited states of molecules are at the heart of photochemistry, photophysics,
as well as photobiology and also play a role in material science. Their theoretical description …

Nonadiabatic dynamics: The SHARC approach

S Mai, P Marquetand, L González - Wiley Interdisciplinary …, 2018 - Wiley Online Library
We review the Surface Hop** including ARbitrary Couplings (SHARC) approach for
excited‐state nonadiabatic dynamics simulations. As a generalization of the popular surface …

Molecular polaritons for controlling chemistry with quantum optics

F Herrera, J Owrutsky - The Journal of chemical physics, 2020 - pubs.aip.org
This is a tutorial-style introduction to the field of molecular polaritons. We describe the basic
physical principles and consequences of strong light–matter coupling common to molecular …

Polaritonic chemistry with organic molecules

J Feist, J Galego, FJ Garcia-Vidal - ACS Photonics, 2018 - ACS Publications
We present an overview of the general concepts of polaritonic chemistry with organic
molecules, ie, the manipulation of chemical structure that can be achieved through strong …

Training Schrödinger's cat: Quantum optimal control: Strategic report on current status, visions and goals for research in Europe

SJ Glaser, U Boscain, T Calarco, CP Koch… - The European Physical …, 2015 - Springer
It is control that turns scientific knowledge into useful technology: in physics and engineering
it provides a systematic way for driving a dynamical system from a given initial state into a …

Attosecond physics

F Krausz, M Ivanov - Reviews of modern physics, 2009 - APS
Intense ultrashort light pulses comprising merely a few wave cycles became routinely
available by the turn of the millennium. The technologies underlying their production and …

Perspective: Ultracold molecules and the dawn of cold controlled chemistry

N Balakrishnan - The Journal of chemical physics, 2016 - pubs.aip.org
Ultracold molecules offer unprecedented opportunities for the controlled interrogation of
molecular events, including chemical reactivity in the ultimate quantum regime. The …

Control of quantum phenomena: past, present and future

C Brif, R Chakrabarti, H Rabitz - New Journal of Physics, 2010 - iopscience.iop.org
Quantum control is concerned with active manipulation of physical and chemical processes
on the atomic and molecular scale. This work presents a perspective of progress in the field …

SHARC: ab Initio Molecular Dynamics with Surface Hop** in the Adiabatic Representation Including Arbitrary Couplings

M Richter, P Marquetand… - Journal of chemical …, 2011 - ACS Publications
We present a semiclassical surface-hop** method which is able to treat arbitrary
couplings in molecular systems including all degrees of freedom. A reformulation of the …

[LIBRO][B] Quantum control of molecular processes

M Shapiro, P Brumer - 2012 - books.google.com
Written by two of the world's leading researchers in the field, this is a systematic introduction
to the fundamental principles of coherent control, and to the underlying physics and …