Light–matter interactions simulated onna world’s fastest supercomputer

lite-matter interactions form the basis of many primordial teks, including lasers, lite-emitting diodes (leds), and atomic clocks. however, usual computational approaches for modeling such interactions ‘ve limited usefulness and capability. now, researchers from japan ‘ve developed a teknique that overcomes these limitations.

in a study published this mnth in the international journal of high performance computing applications, a research team led by the university of tsukuba describes a highly efficient method for simulating lite-matter interactions atta atomic scale.

wha’ makes these interactions so difficult to simul8? one reason s'dat phenomena associated w'da interactions encompass many zones of physics, involving both the propagation of lite waves na dynamics of electrons and ions in matter. another reason s'dat such phenomena can cover a wide range of length and time scales.

given the multiphysics and multiscale nature of the problem, lite-matter interactions are typically modeled using two separate computational methods. the 1st is electromagnetic analysis, whereby the electromagnetic fields of the lite are studied; the 2nd is a quantum-mechanical calculation of the optical properties of the matter. but these methods assume that the electromagnetic fields are weak and that thris a difference inna length scale.

“our approach provides a unified and improved way to simul8 lite-matter interactions,” says senior author of the study professor kazuhiro yabana. “we achieve this feat by simultaneously solving 3 key physics equations: the maxwell equation for the electromagnetic fields, the time-dependent kohn-sham equation for the electrons, na newton equation for the ions.”

the researchers implemented the method in their in-house software salmon (scalable ab initio lite-matter simulator for optics and nanosci), and they thoroughly optimized the simulation computer code to maximize its performance. they then tested the code by modeling lite-matter interactions in a thin film of amorphous silicon dioxide, composed of + than 10,000 atoms. this simulation was carried out using almost 28,000 nodes of the fastest supercomputer inna realm, fugaku, atta riken center for computational sci in kobe, japan.

“we found that our code is extremely efficient, achieving the goal of one 2nd per time step of the calculation that is needed for practical applications,” says professor yabana. “the performance is close to its maximum possible val, set by the bandwidth of the computer memory, na code has the desirable property of excellent weak scalability.”

although the team simul8d lite-matter interactions in a thin film in this work, their approach ‘d be used to explore many phenomena in nanoscale optics and photonics.

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original content at: www.scidaily.com…
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