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Exact simulations of quantum circuits (QCs) are currently limited to $\sim$50 qubits because the memory and computational cost required to store the QC wave function scale exponentially with qubit number. Therefore, developing efficient…
The increase in renewable energy sources (RESs), like wind or solar power, results in growinguncertainty also in transmission grids. This affects grid stability through fluctuating energy supplyand an increased probability of overloaded…
We present a discrete filter for subgrid-scale (SGS) model, coupled with the discretization corrected particle strength exchange (DC-PSE) method for the simulation of three-dimensional viscous incompressible flow, at high Reynolds flows.…
We address the minimization of a smooth objective function under an $\ell_0$-constraint and simple convex constraints. When the problem has no constraints except the $\ell_0$-constraint, some efficient algorithms are available; for example,…
We have proposed and demonstrated an effective scheme to steer both the electronic and molecular motions of hydrogen molecule and its isotopes. Our scheme lies in the idea of sub-cycle waveform shaping (SWS) with synthesizing coherent IR…
We present a new efficient way to perform hybrid density functional theory (DFT) based electronic structure calculation. The new method uses an interpolative separable density fitting (ISDF) procedure to construct a set of numerical…
The numerical simulation of rarefied gas mixture dynamics with disparate masses using the direct simulation Monte Carlo (DSMC) method is slow, primarily because the time step is constrained by that of the lighter species, necessitating an…
The density functional theory (DFT) in electronic structure calculations can be formulated as either a nonlinear eigenvalue or direct minimization problem. The most widely used approach for solving the former is the so-called…
Distributed multi-stage image compression -- where visual content traverses multiple processing nodes under varying quality requirements -- poses challenges. Progressive methods enable bitstream truncation but underutilize available compute…
Scalable quantum information processing in spin-based architectures necessitates the a bility to reliably shuttle quantum states across extended device regions with minimal decoherence. In this work, we present a physics-informed algorithm…
Differential equations (DEs) are used as numerical models to describe physical phenomena throughout the field of engineering and science, including heat and fluid flow, structural bending, and systems dynamics. While there are many other…
To figure out the stability issues brought by renewable energy sources (RES) with non-Gaussian uncertainties in isolated microgrids, this paper proposes a chance constrained stability constrained optimal power flow (CC-SC-OPF) model.…
The growing penetration of distributed energy resources (DERs) is leading to continually changing operating conditions, which need to be managed efficiently by distribution grid operators. The intermittent nature of DERs such as solar…
Electrons floating on the surface of liquid helium are possible spin-qubits for quantum information processing. Varying electric potentials are not expected to modify spin states, which allows their transport on helium using a…
We propose a new method for the problem of controlling linear dynamical systems under partial observation and adversarial disturbances. Our new algorithm, Double Spectral Control (DSC), matches the best known regret guarantees while…
We propose a sequential minimal optimization method for quantum-classical hybrid algorithms, which converges faster, is robust against statistical error, and is hyperparameter-free. Specifically, the optimization problem of the…
In this paper, we introduce an efficient, linear algebra-based method for optimizing supercell selection to determine Heisenberg exchange parameters from DFT calculations. A widely used approach for deriving these parameters involves…
Quantum optimization as a field has largely been restricted by the constraints of current quantum computing hardware, as limitations on size, performance, and fidelity mean most non-trivial problem instances won't fit on quantum devices.…
The time-dependent Hartree-Fock (TDHF) method is an approach to simulate the mean field dynamics of electrons within the assumption that the electrons move independently in their self-consistent average field and within the space of single…
Self-consistent field theory (SCFT) is one of the most widely-used framework in studying the equilibrium phase behaviors of inhomogenous polymers. For liquid crystalline polymeric systems, the main numerical challenges of solving SCFT…