Computational Physics
Momentum-Weighted Interpolation (MWI) is a key component in pressure--velocity coupling schemes on collocated cell-centered finite-volume methods for both primal and continuous adjoint formulations. In many practical implementations, MWI…
The boundary and divertor plasma govern how a tokamak exhausts power and particles, setting heat fluxes, target conditions, and the onset of detachment. Predicting these quantities is essential for operating current and future devices, but…
Simulating active biological tissues, such as the myocardium, requires constitutive models that are both physically faithful and computationally efficient. The most common approach relies on finite element methods that accurately discretize…
In this paper, the random site percolation problem in a five-dimensional space for complex neighborhoods is studied. The efficient C++ code (with ordinary work division) of the classical Newman--Ziff algorithm is presented. The obtained…
Uncertainty quantification (UQ) is essential to experimental mechanics, but has become particularly relevant in computational mechanics, manifesting in two fundamental problem types: forward and inverse problems. The former addresses how…
Rapid pore-volume changes can trigger phase change on timescales shorter than characteristic transport times and may therefore be skipped by conventional nonlinear solves and adaptive time stepping. We present a persistent-variable…
We present anyakrakusuma, an open-source Python library that solves the discrete static Schr\"{o}dinger bridge problem, the entropically regularized counterpart of optimal transport, through a log-domain Sinkhorn--Knopp iteration and…
Critical rare earth elements, lithium, copper, and coal underpin global clean energy transitions and advanced manufacturing, yet China faces persistent supply volatility and resource security risks amid fragmented cross-border mineral trade…
Autonomous discovery systems couple a resource that answers queries (a simulator, instrument, or analytic model) to an algorithm that selects what to query next. Most software frameworks for this loop inherit the control structure of…
We present an SE(3)-invariant transformer for 3D-molecule generation, the Atomic Design Transformer (ADT). ADT places atoms one at a time, autoregressively. SE(3) invariance is achieved by tokenization: each new atom's position is encoded…
Numerical breakdown at high Weissenberg number is often attributed to loss of symmetric positive definiteness (SPD) of the conformation tensor. That conclusion follows from Maxwell-type models without solvent viscosity. With solvent…
A method is presented for the translation of acoustic field data from a source to a target region. Field data are represented as spherical harmonic expansions on spheres surrounding the source and target regions respectively and expansions…
The DFT-D3 dispersion correction is routinely added to machine learning force fields (MLFFs) trained on dispersion-deficient functionals such as PBE. Its environment-dependent pair coefficients, however, break the atom-centered separability…
While intrasaccular flow disruptors are widely used to treat wide-neck intracranial aneurysms, state-of-the-art patient-specific computational models routinely neglect the deployment mechanics by prescribing a pre-seated geometry. This…
Using a few concrete examples this paper has demonstrated a few observations on using the partial-structure R1 (pR1) to assemble small-molecule crystal structures. (1) Assembling can start with orienting and/or placing large fragments or…
We present $\lambda$PIC, a Python-based electromagnetic particle-in-cell framework built around a callback-centric architecture. Existing PIC codes typically tie high performance to static, pre-compiled timestep loops, hindering…
Multimaterial 3D printing enables the fabrication of functionally graded components, but optimizing their spatial material distribution alongside structural topology remains a formidable challenge due to high-dimensional design spaces and…
Monte Carlo particle transport codes are powerful tools, but their use requires substantial knowledge of input preparation, execution, and result analysis. In this study, we present a code-side strategy for applying existing AI assistants…
Spinodoid metamaterials offer a broad, tunable design space for anisotropic mechanical properties, yet their structure-property relationships are commonly treated as representative mappings from cone-angle descriptors to single effective…
We introduce a compact and stable moment representation for real-frequency Green's functions, hybridization functions, and self-energies for machine-learning applications, avoiding the inefficiency of dense frequency grids as well as the…