Physics-Based Simulation

Artificial Intelligence (AI) surrogate models provide a computationally efficient alternative to full-physics simulations, but no public datasets currently exist for training and validating models of high-explosive-driven, multi-material shock dynamics. Simulating shock propagation is challenging due to the need for material-specific equations of state (EOS) and models of plasticity, phase change, damage, fluid instabilities, and multi-material interactions. Explosive-driven shocks further require reactive material models to capture detonation physics. To address this gap, we introduce the High-Explosives and Affected Targets (HEAT) dataset, a physics-rich collection of two-dimensional, cylindrically symmetric simulations generated using an Eulerian multi-material shock-propagation code developed at Los Alamos National Laboratory. HEAT consists of two partitions: expanding shock-cylinder (CYL) simulations and Perturbed Layered Interface (PLI) simulations. Each entry includes time series of thermodynamic fields (pressure, density, temperature), kinematic fields (position, velocity), and continuum quantities such as stress. The CYL partition spans a range of materials, including metals (aluminum, copper, depleted uranium, stainless steel, tantalum), a polymer, water, gases (air, nitrogen), and a detonating material. The PLI partition explores varied geometries with fixed materials: copper, aluminum, stainless steel, polymer, and high explosive. HEAT captures key phenomena such as shock propagation, momentum transfer, plastic deformation, and thermal effects, providing a benchmark dataset for AI/ML models of multi-material shock physics.

Simulation frameworks such as Isaac Sim have enabled scalable robot learning for locomotion and rigid-body manipulation; however, contact-rich simulation remains a major bottleneck for deformable object manipulation. The continuously changing geometry of soft materials, together with large numbers of vertices and contact constraints, makes it difficult to achieve high accuracy, speed, and stability required for large-scale interactive learning. We present FLASH, a GPU-native simulation framework for contact-rich deformable manipulation, built on an accurate NCP-based solver that enforces strict contact and deformation constraints while being explicitly designed for fine-grained GPU parallelism. Rather than porting conventional single-instruction-multiple-data (SIMD) solvers to GPUs, FLASH redesigns the physics engine from the ground up to leverage modern GPU architectures, including optimized collision handling and memory layouts. As a result, FLASH scales to over 3 million degrees of freedom at 30 FPS on a single RTX 5090, while accurately simulating physical interactions. Policies trained solely on FLASH-generated synthetic data in minutes achieve robust zero-shot sim-to-real transfer, which we validate on physical robots performing challenging deformable manipulation tasks such as towel folding and garment folding, without any real-world demonstration, providing a practical alternative to labor-intensive real-world data collection.

Modern datacenters schedule heterogeneous workloads across geo-distributed sites with diverse compute capacities, electricity prices, and thermal conditions. Compute utilization, heat generation, cooling demand, and energy consumption are tightly coupled, yet most existing schedulers abstract these effects and treat them independently. We present DataCenterGym, a physics-grounded simulation environment for job scheduling in geo-distributed data centers, designed as a reusable testbed for future research. The simulator integrates compute queueing, building thermal dynamics, localized HVAC behavior, and temperature-dependent service degradation within a Gymnasium-compatible interface. We also develop a Hierarchical Model Predictive Control (H-MPC) scheduling algorithm that performs distributed job placement while explicitly accounting for thermal and power dynamics. Through experiments on nominal operation and workload sensitivity, we demonstrate how H-MPC improves scheduling performance relative to baseline schedulers.

Surrogate modeling of body-driven fluid flows where immersed moving boundaries couple structural dynamics to chaotic, unsteady fluid phenomena remains a fundamental challenge for both computational physics and machine learning. We present AeTHERON, a heterogeneous graph neural operator whose architecture directly mirrors the structure of the sharp-interface immersed boundary method (IBM): a dual-graph representation separating fluid and structural domains, coupled through sparse cross-attention that reflects the compact support of IBM interpolation stencils. This physics-informed inductive bias enables AeTHERON to learn nonlinear fluid-structure coupling in a shared high-dimensional latent space, with continuous sinusoidal time embeddings providing temporal generalization across lead times. We evaluate AeTHERON on direct numerical simulations of a flapping flexible caudal fin, a canonical FSI benchmark featuring leading-edge vortex formation, large membrane deformation, and chaotic wake shedding across a 4x5 parameter grid of membrane thickness (h* = 0.01-0.04) and Strouhal number (St = 0.30-0.50). As a proof-of-concept, we train on the first 150 timesteps of a representative case using a 70/30 train/validation split and evaluate on the fully unseen extrapolation window t=150-200. AeTHERON captures large-scale vortex topology and wake structure with qualitative fidelity, achieving a mean extrapolation MAE of 0.168 without retraining, with error peaking near flapping half-cycle transitions where flow reorganization is most rapid -- a physically interpretable pattern consistent with the nonlinear fluid-membrane coupling. Inference requires milliseconds per timestep on a single GPU versus hours for equivalent DNS computation. This is a continuously developing preprint; results and figures will be updated in subsequent versions.

Robotic manipulation with deformable objects represents a data-intensive regime in embodied learning, where shape, contact, and topology co-evolve in ways that far exceed the variability of rigids. Although simulation promises relief from the cost of real-world data acquisition, prevailing sim-to-real pipelines remain rooted in rigid-body abstractions, producing mismatched geometry, fragile soft dynamics, and motion primitives poorly suited for cloth interaction. We posit that simulation fails not for being synthetic, but for being ungrounded. To address this, we introduce SIM1, a physics-aligned real-to-sim-to-real data engine that grounds simulation in the physical world. Given limited demonstrations, the system digitizes scenes into metric-consistent twins, calibrates deformable dynamics through elastic modeling, and expands behaviors via diffusion-based trajectory generation with quality filtering. This pipeline transforms sparse observations into scaled synthetic supervision with near-demonstration fidelity. Experiments show that policies trained on purely synthetic data achieve parity with real-data baselines at a 1:15 equivalence ratio, while delivering 90% zero-shot success and 50% generalization gains in real-world deployment. These results validate physics-aligned simulation as scalable supervision for deformable manipulation and a practical pathway for data-efficient policy learning.

Physical Reservoir Computing (PRC) leverages the intrinsic nonlinear dynamics of physical substrates, mechanical, optical, spintronic, and beyond, as fixed computational reservoirs, offering a compelling paradigm for energy-efficient and embodied machine learning. However, the practical workflow for developing and evaluating PRC systems remains fragmented: existing tools typically address only isolated parts of the pipeline, such as substrate-specific simulation, digital reservoir benchmarking, or readout training. What is missing is a unified framework that can represent both high-fidelity simulated trajectories and real experimental measurements through the same data interface, enabling reproducible evaluation, analysis, and physics-aware optimization across substrates and data sources. We present OpenPRC, an open-source Python framework that fills this gap through a schema-driven physics-to-task pipeline built around five modules: a GPU-accelerated hybrid RK4-PBD physics engine (demlat), a video-based experimental ingestion layer (openprc.vision), a modular learning layer (reservoir), information-theoretic analysis and benchmarking tools (analysis), and physics-aware optimization (optimize). A universal HDF5 schema enforces reproducibility and interoperability, allowing GPU-simulated and experimentally acquired trajectories to enter the same downstream workflow without modification. Demonstrated capabilities include simulations of Origami tessellations, video-based trajectory extraction from a physical reservoir, and a common interface for standardized PRC benchmarking, correlation diagnostics, and capacity analysis. The longer-term vision is to serve as a standardizing layer for the PRC community, compatible with external physics engines including PyBullet, PyElastica, and MERLIN.

Developing optical systems for free-space applications requires simulation tools that accurately capture turbulence-induced wavefront distortions and support gradient-based optimization. Here we introduce TurPy, a GPU-accelerated, fully differentiable wave optics turbulence simulator to bridge high fidelity simulation with end-to-end optical system design. TurPy incorporates subharmonic phase screen generation, autoregressive temporal evolution, and an automated screen placement routine balancing Fourier aliasing constraints and weak-turbulence approximations into a unified, user-ready framework. Because TurPy's phase screen generation is parameterized through a media-specific power spectral density, the framework extends to atmospheric, oceanic, and biological propagation environments with minimal modification. We validate TurPy against established atmospheric turbulence theory by matching 2nd order Gaussian beam broadening and 4th order plane wave scintillation to closed-form models with 98% accuracy across weak to strong turbulence regimes, requiring only the medium's refractive index structure constant and power spectral density as inputs. To demonstrate TurPy as a gradient-based training platform, we optimize a dual-domain diffractive deep neural network (D2NN) in a two-mask dual-domain architecture to recover a Gaussian beam from a weakly turbulent path and achieving over 58% reduction in scintillation relative to an uncompensated receiver in simulation. TurPy is released as an open-source package to support synthetic data generation, turbulence-informed algorithm development, and the end-to-end design of optical platforms operating in turbulent environments.

The creation of cinematic-quality animal effects necessitates the precise modeling of muscle and fur dynamics, a process that remains both labor-intensive and computationally expensive within traditional production workflows. While generative diffusion models have shown promise in diverse artistic workflows, their capacity for high-fidelity animal simulation remains largely unexploited. We present MoZoo, a generative dynamics solver that bypasses conventional refinement to synthesize high-fidelity animal videos from coarse meshes under multimodal guidance. We propose Role-Aware RoPE (RAR-RoPE) which employs role-based index remapping to synchronize motion alignment while decoupling reference information via fixed temporal offsets. Complementing this, Asymmetric Decoupled Attention partitions the latent sequence to enforce a unidirectional information flow, effectively preventing feature interference and improving computational efficiency. To address the scarcity of high-quality training data, we introduce MoZoo-Data, a synthetic-to-real pipeline that leverages a rendering engine and an inverse mapping approach to construct a large-scale dataset of paired sequences. Furthermore, we establish MoZooBench, a comprehensive benchmark with 120 mesh-video pairs. Experimental results demonstrate that MoZoo achieves high-fidelity fur simulation across diverse animal skeletons and layouts, preserving superior temporal and structural consistency.

Realistic digital avatars require expressive and dynamic hair motion; however, most existing head avatar methods assume rigid hair movement. These methods often fail to disentangle hair from the head, representing it as a simple outer shell and failing to capture its natural volumetric behavior. In this paper, we address these limitations by introducing PhysHead, a hybrid representation for animatable head avatars with realistic hair dynamics learned from multi-view video. At the core is a 3D Gaussian-based layered representation of the head. Our approach combines a 3D parametric mesh for the head with strand-based hair, which can be directly simulated using physics engines. For the appearance model, we employ Gaussian primitives attached to both the head mesh and hair segments. This representation enables the creation of photorealistic head avatars with dynamic hair behavior, such as wind-blown motion, overcoming the constraints of rigid hair in existing methods. However, these animation capabilities also require new training schemes. In particular, we propose the use of VLM-based models to generate appearance of regions that are occluded in the dynamic training sequences. In quantitative and qualitative studies, we demonstrate the capabilities of the proposed model and compare it with existing baselines. We show that our method can synthesize physically plausible hair motion besides expression and camera control.

Accurate parameter selection is fundamental to gyrokinetic plasma simulations, yet current practices rely heavily on manual literature reviews, leading to inefficiencies and inconsistencies. We introduce Plasma GraphRAG, a novel framework that integrates Graph Retrieval-Augmented Generation (GraphRAG) with large language models (LLMs) for automated, physics-grounded parameter range identification. By constructing a domain-specific knowledge graph from curated plasma literature and enabling structured retrieval over graph-anchored entities and relations, Plasma GraphRAG enables LLMs to generate accurate, context-aware recommendations. Extensive evaluations across five metrics, comprehensiveness, diversity, grounding, hallucination, and empowerment, demonstrate that Plasma GraphRAG outperforms vanilla RAG by over $10\%$ in overall quality and reduces hallucination rates by up to $25\%$. {Beyond enhancing simulation reliability, Plasma GraphRAG offers a methodology for accelerating scientific discovery across complex, data-rich domains.

Physics-based character animation has become a fundamental approach for synthesizing realistic, physically plausible motions. While current data-driven deep reinforcement learning (DRL) methods can synthesize complex skills, they struggle to reproduce exaggerated, stylized motions, such as instantaneous dashes or mid-air trajectory changes, which are required in animation but violate standard physical laws. The primary limitation stems from modeling the character as an underactuated floating-base system, in which internal joint torques and momentum conservation strictly govern motion. Direct attempts to enforce such motions via external wrenches often lead to training instability, as velocity discontinuities produce sparse, high-magnitude force spikes that prevent policy convergence. We propose Assistive Impulse Neural Control, a framework that reformulates external assistance in impulse space rather than force space to ensure numerical stability. We decompose the assistive signal into an analytic high-frequency component derived from Inverse Dynamics and a learned low-frequency residual correction, governed by a hybrid neural policy. We demonstrate that our method enables robust tracking of highly agile, dynamically infeasible maneuvers that were previously intractable for physics-based methods.

Accurate crowd simulation is crucial for public safety management, emergency evacuation planning, and intelligent transportation systems. However, existing methods, which typically model crowds as a collection of independent individual trajectories, are limited in their ability to capture macroscopic physical laws. This microscopic approach often leads to error accumulation and compromises simulation stability. Furthermore, deep learning-driven methods tend to suffer from low inference efficiency and high computational overhead, making them impractical for large-scale, efficient simulations. To address these challenges, we propose the Spatio-Temporal Decoupled Differential Equation Network (STDDN), a novel framework that guides microscopic trajectory prediction with macroscopic physics. We innovatively introduce the continuity equation from fluid dynamics as a strong physical constraint. A Neural Ordinary Differential Equation (Neural ODE) is employed to model the macroscopic density evolution driven by individual movements, thereby physically regularizing the microscopic trajectory prediction model. We design a density-velocity coupled dynamic graph learning module to formulate the derivative of the density field within the Neural ODE, effectively mitigating error accumulation. We also propose a differentiable density mapping module to eliminate discontinuous gradients caused by discretization and introduce a cross-grid detection module to accurately model the impact of individual cross-grid movements on local density changes. The proposed STDDN method has demonstrated significantly superior simulation performance compared to state-of-the-art methods on long-term tasks across four real-world datasets, as well as a major reduction in inference latency.

Severe accident analysis using system-level codes such as MELCOR is indispensable for nuclear safety assessment, yet the computational cost of repeated simulations poses a significant bottleneck for parametric studies and uncertainty quantification. Existing surrogate models accelerate these analyses but depend on large volumes of simulation data, while physics-informed neural networks (PINNs) enable data-free training but must be retrained for every change in problem parameters. This study addresses both limitations by developing the Parameterized PINNs coupled with FDM (P2F) method, a node-assigned hybrid framework for MELCOR's Control Volume Hydrodynamics/Flow Path (CVH/FP) module. In the P2F method, a parameterized Node-Assigned PINN (NA-PINN) accepts the water-level difference, initial velocity, and time as inputs, learning a solution manifold so that a single trained network serves as a data-free surrogate for the momentum conservation equation across all flow paths without retraining. This PINN is coupled with a finite difference method (FDM) solver that advances the mass conservation equation at each time step, ensuring exact discrete mass conservation while replacing the iterative nonlinear momentum solve with a single forward pass. Verification on a six-tank gravity-driven draining scenario yields a water level mean absolute error of $7.85 \times 10^{-5}$ m and a velocity mean absolute error of $3.21 \times 10^{-3}$ m/s under the nominal condition with $Δt = 1.0$ s. The framework maintains consistent accuracy across time steps ranging from 0.2 to 1.0 s and generalizes to five distinct initial conditions, all without retraining or simulation data. This work introduces a numerical coupling methodology for integrating parameterized PINNs with FDM within a nuclear thermal-hydraulic system code framework.

All-atom molecular dynamics (MD) simulations can predict polymer properties from molecular structure, yet their execution requires specialized expertise in force field selection, system construction, equilibration, and property extraction. We present PolyJarvis, a platform in which a planning agent produces a validated run plan that deterministic stage scripts execute through established simulation toolkits, Enhanced Monte Carlo (EMC) for system construction and LAMMPS for molecular dynamics, exposed as Model Context Protocol (MCP) servers, with a recovery agent consulted only on structured failures and within a fixed decision budget. Given a repeat-unit SMILES string and target properties, PolyJarvis constructs the amorphous cell, equilibrates it under a mechanized convergence gate, and computes target properties. Validation is conducted on seven amorphous homopolymers, each run as three replicates that share a protocol frozen per system and use independent random seeds, namely polyethylene (PE), atactic polystyrene (aPS), syndiotactic poly(vinyl chloride) (sPVC), poly(L-lactic acid) (PLLA), poly(ethylene glycol) (PEG), poly(ether ether ketone) (PEEK), and polysulfone (PSU). Against experimental references, 13 of 19 graded comparisons meet the acceptance criteria (density 5 of 7, glass transition 4 of 7, bulk modulus 4 of 5). The failures are concentrated in the PCFF systems: under-density of aPS and PEG, overestimated glass transitions of the stiff PLLA and PEEK backbones, and an overstiff PEG bulk modulus.

Physics-driven 4D dynamic simulation from static 3D scenes remains constrained by an overlooked contradiction: reliable motion supervision often relies on online video diffusion or optical-flow pipelines whose computational cost exceeds that of the simulator itself. Existing methods further simplify inverse physical modeling by optimizing only partial material parameters, limiting realism in scenes with complex materials and dynamics. We present Resonance4D, a physics-driven 4D dynamic simulation framework that couples 3D Gaussian Splatting with the Material Point Method through lightweight yet physically expressive supervision. Our key insight is that dynamic consistency can be enforced without dense temporal generation by jointly constraining motion in complementary domains. To this end, we introduce Dual-domain Motion Supervision (DMS), which combines spatial structural consistency for local deformation with frequency-domain spectral consistency for oscillatory and global dynamic patterns, substantially reducing training cost and memory overhead while preserving physically meaningful motion cues. To enable stable full-parameter physical recovery, we further combine zero-shot text-prompted segmentation with simulation-guided initialization to automatically decompose Gaussians into object-part-level regions and support joint optimization of full material parameters. Experiments on both synthetic and real scenes show that Resonance4D achieves strong physical fidelity and motion consistency while reducing peak GPU memory from over 35,GB to around 20,GB, enabling high-fidelity physics-driven 4D simulation on a single consumer-grade GPU.

Reservoir simulation workflows face a fundamental data asymmetry: input parameter fields (geostatistical permeability realizations, porosity distributions) are free to generate in arbitrary quantities, yet existing neural operator surrogates require large corpora of expensive labeled simulation trajectories and cannot exploit this unlabeled structure. We introduce PI-JEPA (Physics-Informed Joint Embedding Predictive Architecture), a surrogate pretraining framework that trains without any completed PDE solves, using masked latent prediction on unlabeled parameter fields under per-sub-operator PDE residual regularization. The predictor bank is structurally aligned with the Lie--Trotter operator-splitting decomposition of the governing equations, dedicating a separate physics-constrained latent module to each sub-process (pressure, saturation transport, reaction), enabling fine-tuning with as few as 100 labeled simulation runs. On single-phase Darcy flow, PI-JEPA achieves $1.9\times$ lower error than FNO and $2.4\times$ lower error than DeepONet at $N_\ell{=}100$, with 24% improvement over supervised-only training at $N_\ell{=}500$, demonstrating that label-free surrogate pretraining substantially reduces the simulation budget required for multiphysics surrogate deployment.

We present MaskAdapt, a framework for flexible motion adaptation in physics-based humanoid control. The framework follows a two-stage residual learning paradigm. In the first stage, we train a mask-invariant base policy using stochastic body-part masking and a regularization term that enforces consistent action distributions across masking conditions. This yields a robust motion prior that remains stable under missing observations, anticipating later adaptation in those regions. In the second stage, a residual policy is trained atop the frozen base controller to modify only the targeted body parts while preserving the original behaviors elsewhere. We demonstrate the versatility of this design through two applications: (i) motion composition, where varying masks enable multi-part adaptation within a single sequence, and (ii) text-driven partial goal tracking, where designated body parts follow kinematic targets provided by a pre-trained text-conditioned autoregressive motion generator. Through experiments, MaskAdapt demonstrates strong robustness and adaptability, producing diverse behaviors under masked observations and delivering superior targeted motion adaptation compared to prior work.

Modern particle physics experiments face an increasing demand for high-fidelity detector simulation as luminosities rise and computational requirements approach the limits of available resources. Deep generative models have emerged as promising surrogates for traditional Monte Carlo simulation, with recent advances drawing inspiration from large language models (LLM) and next-token prediction paradigms. In this work, we introduce a generalizable foundation model for calorimetry built on next-token transformer backbones, designed to support modular adaptation across materials, particle species, and detector configurations. Our approach combines Mixture-of-Experts pre-training with parameter-efficient fine-tuning strategies to enable controlled, additive model expansion without catastrophic forgetting. A pre-trained backbone is trained to generate electromagnetic showers across multiple absorber materials, while new materials are incorporated through the addition and tuning of lightweight expert modules. Extensions to new particle types are achieved via parameter-efficient fine-tuning and modular vocabularies, preserving the integrity of the base model. This design enables efficient, incremental knowledge integration as new simulation datasets become available, a critical requirement in realistic detector-development workflows. In addition, we demonstrate that next-token calorimeter models are computationally competitive with standard generative approaches under established LLM optimization procedures. These results establish next-token architectures as a viable path toward extensible, physics-aware foundation models for calorimetry and future high-energy physics experiments.

The requirement of generating predictions that exactly fulfill the fundamental symmetry of the corresponding physical quantities has profoundly shaped the development of machine-learning models for physical simulations. In many cases, models are built using constrained mathematical forms that ensure that symmetries are enforced exactly. However, unconstrained models that do not obey rotational symmetries are often found to have competitive performance, and to be able to learn to a high level of accuracy an approximate equivariant behavior with a simple data augmentation strategy. In this paper, we introduce rigorous metrics to measure the symmetry content of the learned representations in such models, and assess the accuracy by which the outputs fulfill the equivariant condition. We apply these metrics to two unconstrained, transformer-based models operating on decorated point clouds (a graph neural network for atomistic simulations and a PointNet-style architecture for particle physics) to investigate how symmetry information is processed across architectural layers and is learned during training. Based on these insights, we establish a rigorous framework for diagnosing spectral failure modes in ML models. Enabled by this analysis, we demonstrate that one can achieve superior stability and accuracy by strategically injecting the minimum required inductive biases, preserving the high expressivity and scalability of unconstrained architectures while guaranteeing physical fidelity.

Efficient thermal management and precise field prediction are critical for the design of advanced energy systems, including electrohydrodynamic transport, microfluidic energy harvesters, and electrically driven thermal regulators. However, the steady-state simulation of these electrothermal coupled multiphysics systems remains challenging for physics-informed neural computation due to strong nonlinear field coupling, temperature-dependent coefficient variability, and complex interface dynamics. This study proposes a Residual Attention Physics-Informed Neural Network (RA-PINN) framework for the unified solution of coupled velocity, pressure, electric-potential, and temperature fields. By integrating a unified five-field operator formulation with residual-connected feature propagation and attention-guided channel modulation, the proposed architecture effectively captures localized coupling structures and steep gradients. We evaluate RA-PINN across four representative energy-relevant benchmarks: constant-coefficient coupling, indirect pressure-gauge constraints, temperature-dependent transport, and oblique-interface consistency. Comparative analysis against Pure-MLP, LSTM-PINN, and pLSTM-PINN demonstrates that RA-PINN achieves superior accuracy, yielding the lowest MSE, RMSE, and relative $L_2$ errors across all scenarios. Notably, RA-PINN maintains high structural fidelity in interface-dominated and variable-coefficient settings where conventional PINN backbones often fail. These results establish RA-PINN as a robust and accurate computational framework for the high-fidelity modeling and optimization of complex electrothermal multiphysics in sustainable energy applications.

Achieving real-time physics-based animation that generalizes across diverse 3D shapes and discretizations remains a fundamental challenge. We introduce PhysSkin, a physics-informed framework that addresses this challenge. In the spirit of Linear Blend Skinning, we learn continuous skinning fields as basis functions lifting motion subspace coordinates to full-space deformation, with subspace defined by handle transformations. To generate mesh-free, discretization-agnostic, and physically consistent skinning fields that generalize well across diverse 3D shapes, PhysSkin employs a new neural skinning fields autoencoder which consists of a transformer-based encoder and a cross-attention decoder. Furthermore, we also develop a novel physics-informed self-supervised learning strategy that incorporates on-the-fly skinning-field normalization and conflict-aware gradient correction, enabling effective balancing of energy minimization, spatial smoothness, and orthogonality constraints. PhysSkin shows outstanding performance on generalizable neural skinning and enables real-time physics-based animation.

Phase-field modeling links thermodynamics and kinetics to microstructural evolution, but multiphysics frameworks such as MOOSE require expertise to construct inputs, manage campaigns, diagnose failures, and validate results. We introduce AutoMOOSE, an open-source multi-agent framework that orchestrates the simulation lifecycle from a single natural-language prompt. Six specialized agents--Architect, Input Writer, Runner, Reviewer, Visualization, and a physics-grounded Skeptic--generate, execute, analyze, and adversarially test simulations against conservation laws, asymptotic limits, and scaling relations. We validate AutoMOOSE in two domains: non-conserved copper grain growth governed by Allen-Cahn dynamics and conserved Fe-Cr spinodal decomposition governed by Cahn-Hilliard dynamics. On a prospectively specified 25-task grain-growth benchmark spanning temperature, grain count, resolution, and model formulation, AutoMOOSE generates valid inputs for all 25 tasks, completes 19 simulations with measurable coarsening, and delivers 15 results that satisfy Burke-Turnbull kinetics ($R^2 \geq 0.90$) and survive Skeptic falsification. The failures trace to two identifiable generator defects. An ensemble of 1000 simulations recovers the prescribed activation energy to within 1% after finite-size extrapolation ($Q_\infty = 0.228$ eV versus $0.230$ eV). In the conserved domain, an agent-generated CALPHAD-based Fe-Cr simulation limits relative mass drift to $6.3 \times 10^{-6}$, dissipates free energy to a stable plateau, and evolves toward the equilibrium tie-line. Controlled ablations show that the full pipeline converts stochastic raw generation--3-7 successful tasks out of 8 across repeated trials--into consistent success on all 8 tasks. AutoMOOSE therefore provides a practical route from natural-language specification to reproducible, physics-validated phase-field simulation campaigns.

Most existing robot simulators prioritize rigid-body dynamics and photorealistic rendering, but largely neglect the thermally and optically complex phenomena that characterize real-world fire environments. For robots envisioned as future firefighters, this limitation hinders both reliable capability evaluation and the generation of representative training data prior to deployment in hazardous scenarios. To address these challenges, we introduce Fire as a Service (FaaS), a novel, asynchronous co-simulation framework that augments existing robot simulators with high-fidelity and computationally efficient fire simulations. Our pipeline enables robots to experience accurate, multi-species thermodynamic heat transfer and visually consistent volumetric smoke without disrupting high-frequency rigid-body control loops. We demonstrate that our framework can be integrated with diverse robot simulators to generate physically accurate fire behavior, benchmark thermal hazards encountered by robotic platforms, and collect realistic multimodal perceptual data. Crucially, its real-time performance supports human-in-the-loop teleoperation, enabling the successful training of reactive, multimodal policies via Behavioral Cloning. By adding fire dynamics to robot simulations, FaaS provides a scalable pathway toward safer, more reliable deployment of robots in fire scenarios.

Efficient and accurate prediction of Multiphysics evolution across diverse cell geometries is fundamental to the design, management and safety of lithium-ion batteries. However, existing computational frameworks struggle to capture the coupled electrochemical, thermal, and mechanical dynamics across diverse cell geometries and varying operating conditions. Here, we present a Neural Bundle Map (NBM), a mathematically rigorous framework that reformulates multiphysics evolution as a bundle map over a geometric base manifold. This approach enables the complete decoupling of geometric complexity from underlying physical laws, ensuring strong operator continuity across varying domains. Our framework achieves high-fidelity spatiotemporal predictions with a normalized mean absolute error of less than 1% across varying configurations, while maintaining stability during long-horizon forecasting far beyond the training window and reducing computational costs by two orders of magnitude compared with conventional solvers. Leveraging this capability, we rapidly explored a vast configurational space to identify an optimal battery design that yields a 38% increase in energy density while adhering to thermal safety constraints. Furthermore, the NBM demonstrates remarkable scalability to multi-cell systems through few-shot transfer learning, providing a foundational paradigm for the intelligent design and real-time monitoring of complex energy storage infrastructures.

Interlocking brick assemblies provide a standardized yet challenging testbed for contact-rich and long-horizon robotic manipulation, but existing rigid-body simulators do not faithfully capture snap-fit mechanics. We present BrickSim, the first real-time physics-based simulator for interlocking brick assemblies. BrickSim introduces a compact force-based mechanics model for snap-fit connections and solves the resulting internal force distribution using a structured convex quadratic program. Combined with a hybrid architecture that delegates rigid-body dynamics to the underlying physics engine while handling snap-fit mechanics separately, BrickSim enables real-time, high-fidelity simulation of assembly, disassembly, and structural collapse. On 150 real-world assemblies, BrickSim achieves 100% accuracy in static stability prediction with an average solve time of 5 ms. In dynamic drop tests, it also faithfully reproduces real-world structural collapse, precisely mirroring both the occurrence of breakage and the specific breakage locations. Built on Isaac Sim, BrickSim further supports seamless integration with a wide variety of robots and existing pipelines. We demonstrate robotic construction of brick assemblies using BrickSim, highlighting its potential as a foundation for research in dexterous, long-horizon robotic manipulation. BrickSim is open-source, and the code is available at https://github.com/intelligent-control-lab/BrickSim.

We present Kamino, a GPU-based physics solver for massively parallel simulations of heterogeneous highly-coupled mechanical systems. Implemented in Python using NVIDIA Warp and integrated into the Newton framework, it enables the application of data-driven methods, such as large-scale reinforcement learning, to complex robotic systems that exhibit strongly coupled kinematic and dynamic constraints such as kinematic loops. The latter are often circumvented by approximating the system's topology as a kinematic tree, and incorporating explicit loop-closure constraints or so-called mimic joints. Kamino aims at alleviating this burden by natively supporting these types of couplings. Moreover, Kamino supports heterogeneous worlds, allowing for batched simulation of structurally diverse robots on a single GPU. At its core lies a state-of-the-art constrained optimization algorithm based on ADMM, which computes constraint forces by solving the constrained rigid multi-body forward dynamics transcribed as a nonlinear complementarity problem. This leads to high-fidelity simulations that resolve contact dynamics without resorting to approximate models that simplify or convexify the problem. We demonstrate RL policy training on a biped with six nested kinematic loops, generating a feasible walking policy while simulating $4{,}096$ parallel environments on a single GPU.

Parallel simulation of robotic systems requires partitioning the dynamics into coupled subsystems. Finite-iteration coupling across the partition boundary can inject spurious energy, even when each subsystem is passive. We propose an early-terminable, energy-safe coupling interface for port-Hamiltonian subsystems based on Douglas--Rachford splitting in wave (scattering) coordinates. The wave-domain formulation reduces passivity to norm inequalities and coupling to orthogonality. Within this setting, the deep correspondence between monotone operator theory and discrete passivity can be exploited to construct a Douglas--Rachford inner iteration whose Fejér monotonicity provides algorithmic dissipation. Under passivity of the subsystem integrators and an impedance-tuning condition, the proposed method guarantees discrete passivity of the augmented storage for any finite inner-iteration budget and converges to the monolithic discretization as the budget increases. Experiments on a linear--Duffing coupled-oscillator benchmark support the finite-iteration energy inequality at numerical roundoff (1e-14 in double precision), with state-error metrics decreasing over the tested inner-iteration budgets.

Robotics demands simulation that can reason about the diversity of real-world physical interactions, from rigid to deformable objects and fluids. Current simulators address this by stitching together multiple subsolvers for different material types, resulting in a compositional architecture that complicates physical reasoning. Particle-based simulators offer a compelling alternative, representing all materials through a single unified formulation that enables seamless cross-material interactions. Among particle-based simulators, position-based dynamics (PBD) is a popular solver known for its computational efficiency and visual plausibility. However, its lack of physical accuracy has limited its adoption in robotics. To leverage the benefits of particle-based solvers while meeting the physical fidelity demands of robotics, we introduce PBD-R, a revised PBD formulation that enforces physically accurate rigid-body dynamics through a novel momentum-conservation constraint and a modified velocity update. Additionally, we introduce a solver-agnostic benchmark with analytical solutions to evaluate physical accuracy. Using this benchmark, we show that PBD-R significantly outperforms PBD and achieves competitive accuracy with MuJoCo while requiring less computation.

Physics simulation for contact-rich robotics is often bottlenecked by contact resolution: mainstream engines enforce non-penetration and Coulomb friction via complementarity constraints or constrained optimization, requiring per-step iterative solves whose cost grows superlinearly with contact density. We present ComFree-Sim, a GPU-parallelized analytical contact physics engine built on complementarity-free contact modeling. ComFree-Sim computes contact impulses in closed form via an impedance-style prediction--correction update in the dual cone of Coulomb friction. Contact computation decouples across contact pairs and becomes separable across cone facets, mapping naturally to GPU kernels and yielding near-linear runtime scaling with the number of contacts. We further extend the formulation to a unified 6D contact model capturing tangential, torsional, and rolling friction, and introduce a practical dual-cone impedance heuristic. ComFree-Sim is implemented in Warp and exposed through a MuJoCo-compatible interface as a drop-in backend alternative to MuJoCo Warp (MJWarp). Experiments benchmark penetration, friction behaviors, stability, and simulation runtime scaling against MJWarp, demonstrating near-linear scaling and 2--3 times higher throughput in dense contact scenes with comparable physical fidelity. We deploy ComFree-Sim in real-time MPC for in-hand dexterous manipulation on a real-world multi-fingered LEAP hand and in dynamics-aware motion retargeting, demonstrating that low-latency simulation yields higher closed-loop success rates and enables practical high-frequency control in contact-rich tasks.

Evaluating LLM agents for scientific tasks has focused on token costs while ignoring tool-use costs like simulation time and experimental resources. As a result, metrics like pass@k become impractical under realistic budget constraints. To address this gap, we introduce SimulCost, the first benchmark targeting cost-sensitive parameter tuning in physics simulations. SimulCost compares LLM tuning cost-sensitive parameters against traditional scanning approach in both accuracy and computational cost, spanning 2,643 single-round (initial guess) and 2,304 multi-round (adjustment by trial-and-error) tasks across 11 simulators from fluid dynamics, solid mechanics, and plasma physics, whose costs are analytically defined and platform-independent. A twelfth simulator, a production plasma code measurable only by wall clock, is reported separately. Frontier LLMs achieve 45-62% success rates in single-round mode, dropping to 34-50% under high accuracy requirements, rendering their initial guesses unreliable especially for high accuracy tasks. Multi-round mode improves rates to 66-81%, but LLMs are 1.5-2.7x slower than traditional scanning, making them uneconomical choices. We also investigate parameter group correlations for knowledge transfer potential, and the impact of in-context examples and reasoning effort, providing practical implications for deployment and fine-tuning. We open-source SimulCost as a static benchmark and extensible toolkit to facilitate research on improving cost-aware agentic designs for physics simulations, and for expanding new simulation environments. Code and data are available at https://github.com/Rose-STL-Lab/SimulCost-Bench