Computational physics
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- Dynamics of thermalization in classical three-dimensional many-body systems: Non-Maxwellian distributions and the role of anisotropic trapping
- Deglobalising the fit: how to search for physics beyond vacuum General Relativity in LISA catalogues
- Load-Balanced Neural-Network-Aided Adaptive Tabulation of Phase Equilibria for Transcritical Multiphase Flows
- Challenging Atomistic Foundation Models on Disordered Carbons
- Coupling Evaporation, Chemical Reactions, and Crystallization: A Population-Balance Framework Applied to Two-Step Perovskite Crystallization
- A mixed leading variable physics-informed neural network for nonsmooth dynamics simulation in contact systems
- Decoherence of the pair entangled states at thermalization and interparticle interaction. Heisenberg--Wigner path integral Monte Carlo simulations
- Outram Park Part II: Agentic Verification, Validation and Documentation as a Human Review Gate for Nuclear Data and Neutronics Software
- Propensity Straight-Through Gradients for Discrete Stochastic Systems
- AI estimation of partition functions with the PULSE method for the thermodynamic properties of disordered compounds
- FoundPDE: A generative foundation model for data-driven symbolic discovery of partial differential equations
- Concurrent two-scale topology optimization of printable bone scaffolds via rectified-flow generation and exact latent-space refinement
- NEP-kappa 2.0: A unified framework for phonon transport and nonequilibrium thermalization with machine-learning interatomic potentials
- A Unified Interface Neural Network for Elliptic Interface Problems
- Multigroup Implicit Monte Carlo Radiation Hydrodynamics on Moving Voronoi Meshes with STORM and RICH
- Generative marginal learning for finite-size molecular simulation with application to stress calculation
- HEXRD and HEXRDGUI: a flexible toolkit for X-ray diffraction analysis in dynamic compression experiments
- Second-Order Correction for Statistical Bias in Monte Carlo Depletion Calculations
- STORM: RDMA-based Monte Carlo Transport Scheme for Distributed-Memory Particle Simulations
- A fast summation method for the DFT-D3 dispersion correction
- Microstructure-Conditioned Surrogate Models for Graded Multiscale Optimization of Mycelium Composites
- Computing statistical solutions of a Mach 2000 astrophysical jet
- Adaptive Model-Switch Thermodynamic Integration: A Bayes Factor Estimator
- SIESTA-QCOMP: Bridging Classical and Quantum Computing for Strongly Correlated Systems
- A GRACE Interatomic Potential for W--Ta Systems: Application to Ta Segregation and Pinning of Shear-Coupled Grain-Boundary Migration