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Colloquium: Nonthermal pathways to ultrafast control in quantum materials
Recent progress in utilizing ultrafast light-matter interaction to control the macroscopic
properties of quantum materials is reviewed. Particular emphasis is placed on photoinduced …
properties of quantum materials is reviewed. Particular emphasis is placed on photoinduced …
Mixed quantum mechanical/molecular mechanical molecular dynamics simulations of biological systems in ground and electronically excited states
The quantum nature of electrons and nuclei is manifested in countless biological events
including the rearrangements of electrons in biochemical reactions, electron and proton …
including the rearrangements of electrons in biochemical reactions, electron and proton …
[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 …
Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems
Real-space grids are a powerful alternative for the simulation of electronic systems. One of
the main advantages of the approach is the flexibility and simplicity of working directly in real …
the main advantages of the approach is the flexibility and simplicity of working directly in real …
[HTML][HTML] Perspective: Fundamental aspects of time-dependent density functional theory
NT Maitra - The Journal of Chemical Physics, 2016 - pubs.aip.org
In the thirty-two years since the birth of the foundational theorems, time-dependent density
functional theory has had a tremendous impact on calculations of electronic spectra and …
functional theory has had a tremendous impact on calculations of electronic spectra and …
Real-time time-dependent electronic structure theory
Real-time electronic structure methods provide an unprecedented view of electron dynamics
and ultrafast spectroscopy on the atto-and femtosecond time scale with vast potential to yield …
and ultrafast spectroscopy on the atto-and femtosecond time scale with vast potential to yield …
Real‐time time‐dependent electronic structure theory
Real‐time time‐dependent electronic structure theory is one of the most promising methods
for investigating time‐dependent molecular responses and electronic dynamics. Since its …
for investigating time‐dependent molecular responses and electronic dynamics. Since its …
Local Berry curvature signatures in dichroic angle-resolved photoelectron spectroscopy from two-dimensional materials
Topologically nontrivial two-dimensional materials hold great promise for next-generation
optoelectronic applications. However, measuring the Hall or spin-Hall response is often a …
optoelectronic applications. However, measuring the Hall or spin-Hall response is often a …
Floquet analysis of excitations in materials
Controlled excitation of materials can transiently induce changed or novel properties with
many fundamental and technological implications. Especially, the concept of Floquet …
many fundamental and technological implications. Especially, the concept of Floquet …
Electron dynamics with real‐time time‐dependent density functional theory
Real‐time time‐dependent functional theory (RT‐TDDFT) directly propagates the electron
density in the time domain by integrating the time‐dependent Kohn–Sham equations. This is …
density in the time domain by integrating the time‐dependent Kohn–Sham equations. This is …