Understanding polaritonic chemistry from ab initio quantum electrodynamics
In this review, we present the theoretical foundations and first-principles frameworks to
describe quantum matter within quantum electrodynamics (QED) in the low-energy regime …
describe quantum matter within quantum electrodynamics (QED) in the low-energy regime …
Electronic-structure methods for materials design
The accuracy and efficiency of electronic-structure methods to understand, predict and
design the properties of materials has driven a new paradigm in research. Simulations can …
design the properties of materials has driven a new paradigm in research. Simulations can …
[HTML][HTML] Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems
Over the last few years, extraordinary advances in experimental and theoretical tools have
allowed us to monitor and control matter at short time and atomic scales with a high degree …
allowed us to monitor and control matter at short time and atomic scales with a high degree …
Strong light–matter interactions: a new direction within chemistry
It is possible to modify the chemical and physical properties of molecules, not only through
chemical modifications but also by coupling molecules strongly to light. More intriguingly …
chemical modifications but also by coupling molecules strongly to light. More intriguingly …
Light–matter interactions with photonic quasiparticles
Interactions between light and matter play an instrumental role in spectroscopy, sensing,
quantum information processing and lasers. In most of these applications, light is considered …
quantum information processing and lasers. In most of these applications, light is considered …
Theoretical challenges in polaritonic chemistry
Polaritonic chemistry exploits strong light–matter coupling between molecules and confined
electromagnetic field modes to enable new chemical reactivities. In systems displaying this …
electromagnetic field modes to enable new chemical reactivities. In systems displaying this …
Bioinspiration in light harvesting and catalysis
Capturing and converting solar energy into fuels and feedstocks is a global challenge that
spans numerous disciplines and fields of research. Billions of years of evolution have …
spans numerous disciplines and fields of research. Billions of years of evolution have …
Atoms and molecules in cavities, from weak to strong coupling in quantum-electrodynamics (QED) chemistry
In this work, we provide an overview of how well-established concepts in the fields of
quantum chemistry and material sciences have to be adapted when the quantum nature of …
quantum chemistry and material sciences have to be adapted when the quantum nature of …
Shining light on the microscopic resonant mechanism responsible for cavity-mediated chemical reactivity
Strong light–matter interaction in cavity environments is emerging as a promising approach
to control chemical reactions in a non-intrusive and efficient manner. The underlying …
to control chemical reactions in a non-intrusive and efficient manner. The underlying …
Polaritonic chemistry with organic molecules
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 …
molecules, ie, the manipulation of chemical structure that can be achieved through strong …