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The nature of light has been a subject of inquiry since antiquity. In the seventeenth century, Isaac Newton performed experiments with lenses and prisms and was able to demonstrate that white light consists of the individual colors of the rainbow combined together. Newton explained his optics findings in terms of a "corpuscular" view of light, in which light was composed of streams of extremely tiny particles traveling at high speeds according to Newton's laws of motion.
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Quantum State Engineering of Light with Continuous-wave Optical Parametric Oscillators
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Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite

Nicolas Tancogne-Dejean1, Micael J T Oliveira1, Xavier Andrade2

  • 1Max Planck Institute for the Structure and Dynamics of Matter, Luruper Chaussee 149, D-22761 Hamburg, Germany.

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|April 4, 2020
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The Octopus project enhances quantum simulations for materials science. It enables precise modeling of light-matter interactions and ultrafast phenomena, advancing the design of novel quantum materials.

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Area of Science:

  • Computational Materials Science
  • Quantum Mechanics
  • Condensed Matter Physics

Background:

  • Recent advances in experimental and theoretical tools allow precise control of matter at atomic and short time scales.
  • Engineering materials with tailored properties requires selective manipulation at the quantum level.
  • Accurate simulation of light-induced changes in complex systems is crucial for materials design.

Purpose of the Study:

  • To present new features and technical developments in the Octopus ab initio simulation tool.
  • To describe theoretical advancements for simulating ultrafast light-driven processes.
  • To enable the scientific community to simulate and characterize novel light-matter interactions and emergent states of matter.

Main Methods:

  • Utilizing a first-principles real-space-based approach within the Octopus project.
  • Implementing generalized time-dependent density functional theory (TDDFT) for quantum mechanical effects.
  • Developing a quantum electrodynamics density-functional formalism for novel light-matter hybrid states.

Main Results:

  • Enhanced performance and massive parallelism in Octopus simulations.
  • New theoretical framework for describing ultrafast light-driven processes.
  • Capabilities to simulate and characterize time-resolved spectroscopies and emergent quantum states.

Conclusions:

  • The Octopus package provides a unique framework for simulating non-equilibrium phenomena in diverse systems.
  • Recent developments significantly improve the simulation of light-matter interactions and ultrafast dynamics.
  • Future releases will further empower the scientific community in exploring quantum electrodynamical-materials.