Research
Research
Research
Research
220,429+ open-access research outputs.
Slater-type orbitals (STOs) provide the physically correct description of atomic wavefunctions but have been largely replaced by Gaussian-type orbitals in computational chemistry due to the lack of cl…
A dramatic difference between the vertical thermal conductance response of homogeneous and heterogeneous graphene/h-BN interfaces to external mechanical perturbations, is predicted. Homogeneous graphe…
Supersonic turbulence is vital to astrophysical and high-speed engineering flows, yet its energy transfer mechanisms remain poorly understood. We present high-resolution ($1024^3$) direct numerical si…
Variational quantum algorithms (VQAs) constitute a prominent framework for exploring the capabilities of near-term quantum computers. As the effectiveness of VQAs depends heavily on the design of vari…
Quantum computing has advanced rapidly in recent years and has shown advantages in a variety of domains. In this paper, we investigate its potential for discrete simulation optimization in the fixed-c…
This work presents a fast and scalable approach for predicting surface stability and equilibrium crystal morphology in ionic materials using electrostatic analysis. The method constructs stoichiometri…
Quantum simulation is a cornerstone application for quantum computing, yet standard methods face a trade-off between circuit depth and accuracy: Trotterization depth scales with the number of Hamilton…
We demonstrate that ultra-relativistic black hole encounters reveal a new regime of the two-body interaction in general relativity. Evolving equal-mass, nonspinning black holes with initial center-of-…
Adding flexible polymers to a Newtonian solvent confers complex properties to the resulting solution. The additional complexity substantially increases the computational cost of numerical simulations,…
Quantum simulations of scalar quantum field theories (QFT) provide important benchmarks for demonstrating quantum advantage. We revisit digitization in the occupation basis, which is typically hindere…
Loading high dimensional distributions is an important task for utilizing quantum computers on applications ranging from machine learning to finance. The high dimensionality leads to a curse of dimens…
We perform numerical simulations of particle acceleration in relativistic, self-driven turbulent magnetic reconnection using the MHD-PIC method. We systematically investigate the dependence of the non…
We study experimentally and theoretically the Stokesian settling of a well-known class of porous shapes: Bravais lattice unit-cells, whose porosity we vary controllably by changing their lattice spaci…
Transportation systems such as urban logistics, vehicle routing, and infrastructure planning require solving large-scale combinatorial optimization problems under complex constraints. Problems such as…
Random lasing exploits multiple scattering to provide optical feedback without conventional resonant cavities, enabling simplified architectures that are readily integrated into compact photonic platf…
This review explores the physical mechanisms driving the evolution of low- and intermediate-mass binary star systems, with particular emphasis on emerging mechanisms that challenge classical paradigms…
First-principles atomistic simulations are essential for understanding complex material phenomena but are fundamentally limited by their computational cost. While Machine Learning Interatomic Potentia…
We study the nearest-neighbor spin-ice model subjected to a magnetic field applied along the global [111] and [110] directions, focusing on the role of sample geometry in stabilizing topological phase…
The Nancy Grace Roman Space Telescope (Roman) is an observatory motivated by the search to understand dark energy, exoplanets, and general astrophysics. Roman will bring unprecedented amounts of preci…
Electrophoretic deposition is a method of choice for generating coatings thanks to its ease of implementation and its ability to produce coatings of relatively large thicknesses in a single step proce…
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