Related papers: Multiscale light-matter dynamics in quantum materi…
We map the topological properties of a one dimensional superlattice to the optical properties of an electronic system. We find that the nonlinear-optical response is optimized for electrons that live in the transitional morphology between…
We review a molecular dynamics method for nucleon many-body systems called the quantum molecular dynamics (QMD) and our studies using this method. These studies address the structure and the dynamics of nuclear matter relevant to the…
Quantum geometrical molecular dynamics provides a quantum geometric picture for understanding reactive dynamics, especially excited-state conical intersection dynamics, and also a numerically exact method for strongly correlated…
A highly anticipated application for quantum computers is as a universal simulator of quantum many-body systems, as was conjectured by Richard Feynman in the 1980s. The last decade has witnessed the growing success of quantum computing for…
All-optical and fully reconfigurable diffractive optical neural network (DONN) architectures are promising for high-throughput and energy-efficient machine learning (ML) hardware accelerators for broad applications. However, current device…
The growing demand for low-latency, energy-efficient inference in large language models (LLMs) has catalyzed interest in heterogeneous architectures. While GPUs remain dominant, they are poorly suited for integration with emerging…
A quantum computer can perform exponentially faster than its classical counterpart. It works on the principle of superposition. But due to the decoherence effect, the superposition of a quantum state gets destroyed by the interaction with…
Recent developments dedicated to the building of multiscale mechanical and chemical constitutive laws for energetic molecular crystals are presented and discussed. In particular, various tools have been specifically incorporated in…
We introduce an explicit model with technifermion matter transforming according to multiple representations of the underlying technicolor gauge group. The model features simultaneously the smallest possible value of the naive S parameter…
Integrating quantum mechanics into drug discovery marks a decisive shift from empirical trial-and-error toward quantitative precision. However, the prohibitive cost of ab initio molecular dynamics has historically forced a compromise…
We present a new algorithm to design lightweight cellular materials with required properties in a multi-physics context. In particular, we focus on a thermo-mechanical setting, by promoting the design of unit cells characterized both by an…
Ultracold atoms are crucial for unlocking truly precise and accurate quantum metrology, and provide an essential platform for quantum computing, communication and memories. One of the largest ongoing challenges is the miniaturization of…
Semiconducting transition metal dichalcogenides (TMDs) are desired as active materials in optoelectronic devices due to their strong excitonic effects. They can be exfoliated from their parent layered materials with low-cost and for mass…
Multimode optical fibres are hair-thin strands of glass that efficiently transport light. They promise next-generation medical endoscopes that provide unprecedented sub-cellular image resolution deep inside the body. However, confining…
The coupled quantum dynamics of electrons and protons is ubiquitous in many dynamical processes involving light-matter interaction, such as solar energy conversion in chemical systems and photosynthesis. A first-principles description of…
Machine-learning electronic Hamiltonians achieve orders-of-magnitude speedups over density-functional theory, yet current models omit long-range Coulomb interactions that govern physics in polar crystals and heterostructures. We derive…
Photonic nanostructures provide means of tailoring the interaction between light and matter and the past decade has witnessed a tremendous experimental and theoretical progress in this subject. In particular, the combination with…
In this work, we have developed a multiscale computational algorithm to couple finite element method with an open source molecular dynamics code --- the Large scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) --- to perform…
Finite lattice models are a prototype for strongly correlated quantum systems and capture essential properties of condensed matter systems. With the dramatic progress in ultracold atoms in optical lattices, finite fermionic Hubbard systems…
Nonlinear optics is essential for many recent photonic technologies. Here, we introduce a novel multi-scale approach to simulate the nonlinear optical response of molecular nanomaterials combining ab initio quantum-chemical and classical…