Computational Physics
We introduce NeuroPINNs, a neuroscience-inspired extension of Physics-Informed Neural Networks (PINNs) that incorporates biologically motivated spiking neuron models to achieve energy-efficient PDE solving. Unlike conventional PINNs, which…
Accurate prediction of the radar cross section (RCS) of chaff clouds requires careful consideration of aerodynamic effects, as the orientation and spatial distribution of individual chaff elements evolve significantly after deployment.…
BzScope is a Python package designed for efficiently calculating absolute cross sections of neutron-phonon inelastic scattering for crystalline powders in large phase spaces, addressing the limitations of traditional histogramming…
This paper introduces a random-batch molecular dynamics (RBMD) package for fast simulations of particle systems at the nano/micro scale. Different from existing packages, the RBMD uses random batch methods for nonbonded interactions of…
Reliable control of skyrmion lifetime is essential for realizing spintronic devices, yet the role of higher-order exchange - which can lead to skyrmion stabilization - remains largely unexplored. Here we calculate lifetimes of isolated…
Designing metamaterials for extreme mechanical behavior involves the optimal selection of design parameters. However, identifying these optimal parameters through topology optimization (TO) across a large parametric space requires extensive…
Many hard combinatorial problems can be mapped onto Ising models, which replicate the behavior of classical spins. Recent advances in probabilistic computers are characterized by parallelization and the introduction of novel hardware…
Physics-informed machine learning (PIML) integrates partial differential equations (PDEs) into machine learning models to solve inverse problems, such as estimating coefficient functions (e.g., the Hamiltonian function) that characterize…
Efficient identification of promising drug candidates for nanomaterial-based delivery systems is essential for advancing next-generation therapeutics. In this work, we present a synergistic framework combining density functional theory…
Accurate thermal analysis is crucial for modern spacecraft, driving demand for reliable modeling tools. This research advances space thermal modeling by improving the simulation accuracy and efficiency of radiative heat transfer, the…
This paper presents an enhanced version of the subgroup method for resonance self-shielding treatment, termed the robust subgroup method, which integrates Robust Estimation (RE) with a Differential Evolution (DE) algorithm. The RE approach…
This study investigates into the adsorption sensing capabilities of single-walled (5,5) boron nitride nanotubes (BNNTs) towards environmental pollutant gas molecules, including CH2, SO2, NH3, H2Se, CO2 and CS2. Employing a linear…
Path integral Monte Carlo (PIMC) simulations are a cornerstone for studying quantum many-body systems. The analytic continuation (AC) needed to estimate dynamic quantities from these simulations is an inverse Laplace transform, which is…
We present BIGSTICK, a flexible configuration-interaction open-source shell-model code for the many-fermion problem. Written mostly in Fortran 90 with some later extensions, BIGSTICK utilizes a factorized on-the-fly algorithm for computing…
Optimizing multimodal waveguide performance depends on modal analysis; however, existing methods focus predominantly on modal power distribution (MPD) and, limited by experimental hardware and conditions, exhibit low accuracy, poor…
We introduce a novel data reconstruction algorithm known as Gappy auto-encoder (Gappy AE) to address the limitations associated with Gappy proper orthogonal decomposition (Gappy POD), a widely used method for data reconstruction when…
Given the high potential for applications utilizing the unique properties of single-walled carbon nanotubes (SWCNTs), there is considerable enthusiasm for addressing the challenges associated with synthesizing SWCNTs with specific…
PLUMED is an open-source software package that is widely used for analyzing and enhancing molecular dynamics simulations that works in conjunction with most available molecular dynamics softwares. While the computational cost of PLUMED…
The reliable simulation of spin models is of critical importance to tackle complex optimization problems that are intractable on conventional computing machines. The recently introduced hyperspin machine, which is a network of linearly and…
The two-sided Bogoliubov inequality for classical and quantum many-body systems is a theorem that provides rigorous bounds on the free-energy cost of partitioning a given system into two or more independent subsystems. This theorem…