SALMON: Scalable Ab-initio Light-Matter simulator for Optics and Nanoscience
@article{Noda2018SALMONSA, title={SALMON: Scalable Ab-initio Light-Matter simulator for Optics and Nanoscience}, author={Masashi Noda and Shunsuke A. Sato and Yuta Hirokawa and Mitsuharu Uemoto and Takashi Takeuchi and Shunsuke Yamada and Atsushi Yamada and Yasushi Shinohara and Maiku Yamaguchi and Kenji Iida and Isabella Floss and Tomohito Otobe and Kyung Min Lee and Kazuya Ishimura and Taisuke Boku and George F. Bertsch and Katsuyuki Nobusada and Kazuhiro Yabana}, journal={Comput. Phys. Commun.}, year={2018}, volume={235}, pages={356-365} }
82 Citations
Ab Initio Description of Ultrafast Dynamics in Solids
- Physics2021 Conference on Lasers and Electro-Optics Europe & European Quantum Electronics Conference (CLEO/Europe-EQEC)
- 2021
When we theoretically investigate interaction of an intense and ultrashort laser pulse with solids, there are two aspects that should be considered: the strong electric field of the light pulse…
Large-scale ab initio simulation of light–matter interaction at the atomic scale in Fugaku
- PhysicsInt. J. High Perform. Comput. Appl.
- 2022
In the field of optical science, it is becoming increasingly important to observe and manipulate matter at the atomic scale using ultrashort pulsed light. For the first time, we have performed the ab…
Theoretical Insights into Ultrafast Dynamics in Quantum Materials
- Physics
- 2021
The last few decades have witnessed the extraordinary advances in theoretical and experimental tools, which have enabled the manipulation and monitoring of ultrafast dynamics with high precisions.…
Multiscale coupled Maxwell's equations and polarizable molecular dynamics simulation based on charge response kernel model.
- PhysicsThe Journal of chemical physics
- 2020
Three numerical examples of basic spectroscopies of an ice crystalline solid are demonstrated: simulations of reflection and transmission of visible light, infrared absorption measurement, and stimulated Raman scattering measurement.
Time-dependent density functional theory for interaction of ultrashort light pulse with thin materials
- PhysicsPhysical Review B
- 2018
We present a comprehensive theoretical description for an irradiation of an ultrashort light pulse normally on thin materials based on first-principles time-dependent density functional theory…
Vlasov Simulation of Electron Dynamics in Solids Under Intense Laser Fields
- Physics2021 Conference on Lasers and Electro-Optics Europe & European Quantum Electronics Conference (CLEO/Europe-EQEC)
- 2021
Metal hyper-micro-structuring technique using ultra-short intense pulsed lasers has been investigated from both sides of experiments and simulations [1] , [2] . Ultrafast (fs-ps) laser micromachining…
Implementation of real-time TDDFT for periodic systems in the open-source PySCF software package.
- PhysicsJournal of computational chemistry
- 2022
We present a new implementation of real-time time-dependent density functional theory (RT-TDDFT) for calculating excited-state dynamics of periodic systems in the open-source Python-based PySCF…
First-principles calculations for attosecond electron dynamics in solids
- PhysicsComputational Materials Science
- 2021
Classical electronic and molecular dynamics simulation for optical response of metal system.
- PhysicsThe Journal of chemical physics
- 2021
The presented simulation accurately reproduces the classical image potential in a metal-charge interaction system and the dielectric function of bulk metal and opens the possibility to expand the force-field based molecular dynamics simulation to an alternative tool for optical-related fields.
First-principles calculations for determining the thickness to maximize HHG efficiency of laser-irradiated nano films
- Materials Science2021 Conference on Lasers and Electro-Optics Europe & European Quantum Electronics Conference (CLEO/Europe-EQEC)
- 2021
Recently high-order harmonic generation (HHG) in solids has been extensively studied both experimentally and theoretically. First-principles calculations based on the time-dependent density…
References
SHOWING 1-10 OF 57 REFERENCES
Modeling Fast Electron Dynamics with Real-Time Time-Dependent Density Functional Theory: Application to Small Molecules and Chromophores.
- Physics, ChemistryJournal of chemical theory and computation
- 2011
An efficient and massively parallel real-time real-space time-dependent density functional theory (RT-TDDFT) implementation in NWChem is presented and nonlinear excitation of green fluorescent protein is studied, which shows a blue-shift in the spectrum with increasing perturbation, as well as a saturation in absorption.
Time-dependent density functional theory for strong electromagnetic fields in crystalline solids
- Physics
- 2012
We apply the coupled dynamics of time-dependent density functional theory and Maxwell equations to the interaction of intense laser pulses with crystalline silicon. As a function of electromagnetic…
Maxwell + TDDFT multi-scale simulation for laser-matter interactions
- Physics
- 2014
We develop a theoretical framework and a computational method to describe interactions between an intense laser field and a solid. The laser electromagnetic fields are described by the Maxwell…
Real-time time-dependent density functional theory approach for frequency-dependent nonlinear optical response in photonic molecules.
- PhysicsThe Journal of chemical physics
- 2007
This approach is based on an extension of an approach previously implemented for a linear response using the electronic structure program SIESTA and uses Gaussian enveloped quasimonochromatic external fields to speed the nonlinear calculations.
Real-time approach to the optical properties of solids and nanostructures: Time-dependent Bethe-Salpeter equation
- Physics
- 2011
Many-body effects are known to play a crucial role in the electronic and optical properties of solids and nanostructures. Nevertheless, the majority of theoretical and numerical approaches able to…
First-principles simulation of the optical response of bulk and thin-film α-quartz irradiated with an ultrashort intense laser pulse
- Physics
- 2014
A computational method based on a first-principles multiscale simulation has been used for calculating the optical response and the ablation threshold of an optical material irradiated with an…
Ab initio multiscale simulation of high-order harmonic generation in solids
- Physics
- 2018
High-order-harmonic generation by a highly nonlinear interaction of infrared laser fields with matter allows for the generation of attosecond pulses in the XUV spectral regime. This process, well…
Time-dependent density functional theory of high-intensity short-pulse laser irradiation on insulators
- Physics
- 2015
We calculate the energy deposition by very short laser pulses in SiO_2 (alpha-quartz) with a view to establishing systematics for predicting damage and nanoparticle production. The theoretical…
Attosecond nonlinear polarization and light-matter energy transfer in solids.
- PhysicsNature
- 2016
It is demonstrated that attosecond metrology extends the resolution to petahertz frequencies of visible light and Quantitative determination of dissipation within a signal manipulation cycle of only a few femtoseconds duration reveals the feasibility of dielectric optical switching at clock rates above 100 teraherz.
Ab initio simulation of electrical currents induced by ultrafast laser excitation of dielectric materials.
- PhysicsPhysical review letters
- 2014
It is shown that the transferred charge sensitively depends on the orientation of the polarization axis relative to the crystal axis, suggesting that the induced charge separation reflects the anisotropic electronic structure.