相关论文: Development of data-driven spd tight-binding model…
The formulation of rheological constitutive equations -- models that relate internal stresses and deformations in complex fluids -- is a critical step in the engineering of systems involving soft materials. While data-driven models provide…
Hard combinatorial optimization problems, often mapped to Ising models, promise potential solutions with quantum advantage but are constrained by limited qubit counts in near-term devices. We present an innovative quantum-inspired framework…
While the ground state of magnetic materials is in general well described on the basis of spin density functional theory (SDFT), the theoretical description of finite-temperature and non-equilibrium properties require an extension beyond…
The paper investigates the techniques of quantum computation in metrological predictions, with a particular emphasis on enhancing prediction potential through variational parameter estimation. The applicability of quantum simulations and…
Quantum field theory in the presence of strong background fields contains interesting problems where quantum computers may someday provide a valuable computational resource. In the NISQ era it is useful to consider simpler benchmark…
In the design phase of an electrical machine, finite element (FE) simulation are commonly used to numerically optimize the performance. The output of the magneto-static FE simulation characterizes the electromagnetic behavior of the…
Quantum kernel methods are promising for near-term quantum ma- chine learning, yet their behavior under data corruption remains insuf- ficiently understood. We analyze how quantum feature constructions degrade under controlled additive…
High precision measurements are essential to solve major scientific and technological challenges, from gravitational wave detection to healthcare diagnostics. Quantum sensing delivers greater precision, but an in-depth optimisation of…
Bridging the sim-to-real gap remains a fundamental challenge in robotics, as accurate dynamic parameter estimation is essential for reliable model-based control, realistic simulation, and safe deployment of manipulators. Traditional…
Analog quantum simulation is emerging as a powerful tool for uncovering classically unreachable physics such as many-body real-time dynamics. A complete quantification of uncertainties is necessary in order to make precise predictions using…
Covalent Organic Frameworks (COFs) are versatile two-dimensional (2D) materials for flexible electronics, catalysis, and sensing, owing to their tunable architectures and large surface areas. However, like most materials, COFs inevitably…
Quantum computation is an attractive front for many problems that are intractable for computers today. One such problem is nonadiabatic quantum molecular dynamics, where quantized internal states coupling to parameterized modes result in a…
The increasing integration of Distributed Energy Resources (DERs) into power systems necessitates the accurate representation of their dynamic behavior at the transmission level. Traditional electromagnetic transient models (EMT), while…
Semidefinite programs (SDPs) are a particular class of convex optimization problems with applications in combinatorial optimization, operational research, and quantum information science. Seminal work by Brand\~{a}o and Svore shows that a…
Two-dimensional (2D) materials exhibit a wide range of electronic properties that make them promising candidates for next-generation nanoelectronic devices. Accurate prediction of their quantum transport behavior is therefore of both…
Semi-Empirical Tight Binding (TB) is known to be a scalable and accurate atomistic representation for electron transport for realistically extended nano-scaled semiconductor devices that might contain millions of atoms. In this paper an…
Simulating dynamics of physical systems is a key application of quantum computing, with potential impact in fields such as condensed matter physics and quantum chemistry. However, current quantum algorithms for Hamiltonian simulation yield…
Topology optimization (TO) has been widely adopted in engineering design; however, it is prone to being trapped in local optima, particularly in strongly nonlinear problems. Sensitivity-free data-driven topology design (DDTD) offers a…
The Empirical Tight Binding(ETB) method is widely used in atomistic device simulations. The reliability of such simulations depends very strongly on the choice of basis sets and the ETB parameters. The traditional way of obtaining the ETB…
We consider finite-dimensional many-body quantum systems described by time-independent Hamiltonians and Markovian master equations, and present a systematic method for constructing smaller-dimensional, reduced models that exactly reproduce…