Physics
We present a comprehensive benchmarking dataset and empirical scaling law analysis for neural network wavefunctions by matching them to a wide spectrum of famous many body target wavefunctions. The dataset, WF-Bench, spans multiple distinct…
We present MARUT, a scalable multi-GPU computational fluid dynamics (CFD) framework designed for high-fidelity simulations of compressible flows spanning subsonic to hypersonic regimes, including chemically reacting nonequilibrium flows…
Earth's relief is approximately self-affine, meaning a zoom-in on a small region looks statistically similar to a large region upon rescaling. Fractional Brownian surfaces give an idealized self-affine model of Earth's relief with one…
This paper presents a deep learning strategy to simultaneously solve Partial Differential Equations (PDEs) and back-calculate their parameters in the context of deep tunnel excavation. A Physics-Informed Neural Network (PINN) model is…
The GW plus Bethe-Salpeter equation (GW-BSE) formalism is a well-established approach for calculating excitation energies and optical spectra of molecules, nanostructures, and crystalline materials. We implement GW-BSE in the CP2K code and…
Geological materials are often seen as the antithesis of soft; rocks are hard. However, during the formation of minerals and rocks, all the systems we shall discuss, indeed geological materials in general, pass through a stage where they…
Given the urgency to reduce fossil fuel energy production to make climate tipping points less likely, we call for resource-aware knowledge gain in the research areas on Universe and Matter with emphasis on the digital transformation. A…
We introduce an evidence-driven Bayesian formulation of physics-informed neural networks that enables automatic optimization of loss weights between PDE residuals, boundary conditions, and observational data. Unlike existing Bayesian PINN…
High-temperature superconducting (HTS) coated conductors (CCs) can be wound into no-insulation (NI) coils, in which electrical current can partially bypass local normal zones via turn-to-turn contact layers (T2TCLs). Accurate…
The Controlled Source Electromagnetic (CSEM) method aims to image electrical resistivity at intermediate depths (0-3 km) for geothermal, mineral, and groundwater exploration. It was developed both as a deeper extension of DC resistivity…
The optimization of energy group structures is integral to ensure the accuracy of multigroup neutron transport calculations. This works introduces the use of reinforcement learning (RL) with surrogate modeling to optimize the group…
Near-field tsunami early warning in the Cascadia Subduction Zone is limited by sparse offshore observations. We investigate whether a hypothetical network of 175 ocean-bottom pressure sensors can support real-time Bayesian inference of the…
Coarse graining (CG) is an important task for efficient modeling and simulation of complex multi-scale systems, such as the conformational dynamics of biomolecules. This work presents a projection-based coarse-graining formalism for general…
Proton computed tomography (pCT) aims to facilitate precise dose planning for hadron therapy, a promising and effective method for cancer treatment. Hadron therapy utilizes protons and heavy ions to deliver well focused doses of radiation,…
Volcanic eruptions necessitate precise monitoring of magma pressure and inflation for improved forecasting. Understanding deep magma storage is crucial for hazard assessment, yet imaging these systems is challenging due to complex…
Earth's inner core (IC) serves as a reservoir for volatile elements, which significantly affects its behavior and properties. Recent studies suggest that superionicity can be observed in ice and iron hydrides under high-pressure and…
Submarine eruptions, accounting for over 80% of Earth's volcanic activity, primarily occur along mid-ocean ridges, where shallow magmatic systems are accessible to high-resolution imaging. Yet, their remoteness often leaves them undetected.…
We present EUWA310, a seismic velocity model obtained by full seismic waveform inversion (FWI) model of the upper mantle beneath Europe and Western Asia. Inferred via 310 quasi-Newton updates from more than 260$\,$000 three-component…
Harmonic vibrational entropy is a key finite-temperature contribution to defect thermodynamics, but direct evaluation by dense Hessian diagonalization scales cubically with atom count and is too costly for supercell convergence,…
Classical Proper Orthogonal Decomposition (POD)-based Galerkin projection models of chaotic flows typically require a large number of modes as well as stabilization or closure terms to achieve adequate accuracy and long-term stability. We…