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Every paper Pith has read. Search by title, abstract, or pith.
444 papers in physics.comp-ph · page 1
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This paper introduces Shodh-MoE
Eradicating Negative Transfer in Multi-Physics Foundation Models via Sparse Mixture-of-Experts Routing
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Method ensures one-to-one branch match in viscoelastic dispersion curves
Adaptive homotopy continuation for robust dispersion curve computation in viscoelastic waveguides: guaranteed branch identity continuity
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O(L^3) Clebsch-Gordan contractions via grid and surface-curl pairing
Fast contracted Clebsch--Gordan tensor products for equivariant graph neural networks
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Multi-channel positronium model added to GATE
A Monte Carlo positronium decay source model with multiple annihilation channels in GATE
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LLM agents autonomously develop ML interatomic potentials
Lang2MLIP: End-to-End Language-to-Machine Learning Interatomic Potential Development with Autonomous Agentic Workflows
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Database unifies 77k high-pressure structures under single DFT standard
High-Pressure Crystal Structure Database
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3D solver models fluid-driven slip and tensile ruptures together
Three dimensional simulation of fluid-driven frictional and tensile ruptures on existing discontinuities
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Neural tangent kernel modulates kernels to control waveform inversion convergence
Deciphering Neural Reparameterized Full-Waveform Inversion with Neural Sensitivity Kernel and Wave Tangent Kernel
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Unified definition unifies conventional and quantum ferroelectrics
Unified definition of ferroelectricity
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Recurrent nets simulate 52x52 spin lattices accurately
Parallel Scan Recurrent Neural Quantum States for Scalable Variational Monte Carlo
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Elastica++ is a new open-source software framework for fast
Elastica++: A high-performance, multiphysics framework for large interacting assemblies of Cosserat rods
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Hybrid coupling speeds DSMC reacting-flow simulations by orders of magnitude
Efficient simulation of chemical reaction in DSMC
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Heating patterns control convection and entropy in power-law fluids
Effects of Thermal Boundary Conditions on Natural Convection and Entropy Generation in Non-Newtonian Power-Law Fluids
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AD boosts JFNK solvers by 100-1000x with 95% completion
Robust Matrix-Free Newton-Krylov Solvers via Automatic Differentiation
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CP-DFT finds d-orbital correlations missed by standard DFT in CsV3Sb5
Conditional probability density functional theory for solids
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Onsager principle yields unified diffuse-domain models for interfaces
Onsager-variational formulation of diffuse-domain methods for computational modeling of microscale fluid-structure interactions
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Hessian matching outperforms force matching on eight proteins
Hessian Matching for Machine-Learned Coarse-Grained Molecular Dynamics
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Boundary conditions shift FLiBe permeability estimates
Quantifying Multidimensional Transport Effects on Permeability Inference in FLiBe Systems Using a Validation-Informed Modeling Framework
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Activity speeds colloidal transport at fixed microphase order
Activity enhances transport while competing interactions preserve structure in colloidal microphase formers
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Singularity subtraction cuts MP2 finite-size errors
Reduction of finite-size effects for second-order M{\o}ller-Plesset perturbation theory with singularity subtraction
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Parallel training lets RNNs learn from sequences over 10,000 steps
Parallel-in-Time Training of Recurrent Neural Networks for Dynamical Systems Reconstruction
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Two-layer networks shrink diffusion training time to log scaling
The critical slowing down in diffusion models
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Asymmetry tuning makes dielectric spheres interact as point charges at contact
Designing Coulombic Contact Interactions between Polarizable Particles through Asymmetry
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Tangent-plane uncertainty outperforms random sampling for magnetic potentials
Tangent-Plane Evidential Uncertainty in Active Learning for Magnetic Interatomic Potentials
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Generative models learn neutron sources from Monte Carlo lists
Machine Learning for neutron source distributions
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Diameter dynamics create ultrastable glasses
Identifying the relevant parameters in design strategies for stable glasses
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Adaptive fluxes preserve scalar bounds in high-order flow simulations
Formulations for scalar boundedness in simulations of turbulent compressible multi-component flows using high-order finite-difference methods
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Mapped wildfire surrogates match high-fidelity PDFs at 1000x lower cost
A geometry-aligned multi-fidelity framework for uncertainty quantification of wildfire spread
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Probabilistic metric isolates model error from fusion test uncertainties
Towards Virtual Qualification in Nuclear Fusion: Demonstrating Probabilistic Model Validation on a High Heat Flux Component
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Mutual information yields parameter-free SGS models
Information-Preserving SGS model based on the local inter-scale equilibrium hypothesis
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Multi-layer verification certifies exact diagonalization results
CERTIFY-ED: A Multi-Layer Verification Framework for Exact Diagonalization of Quantum Many-Body Systems
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ML surrogates cut lattice thermal conductivity prediction costs by orders of magnitude
Fast and Accurate Prediction of Lattice Thermal Conductivity via Machine Learning Surrogates
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Binding descriptor tracks heavy-metal trapping in cement nanopores
Gel-Chemistry-Dependent Heavy-Metal Ion Transport and Immobilization in Cementitious Nanopores: A Molecular Dynamics Study
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GW method cuts DC conductivity in warm dense beryllium
Capturing many-body effects in electrical conductivity of warm dense matter
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Low-rank factors turn 2RDM storage quadratic
Low-rank compression of two-electron reduced density matrices
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Low-rank 2RDM compression yields 99% size reduction for octane
Low-rank compression of two-electron reduced density matrices
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Zigzag edges define four classes of graphitic quadrupole insulators
Bound States in Second-order Topological Graphitic Structures
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Toolkit lets users simulate quantum Hamiltonians via error tolerances
The Quantum Hamiltonian Analysis Toolkit: Lowering the Barrier to Quantum Computing with Hamiltonians
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Analytical setup yields Lanczos coefficients for BMN Krylov complexity
Krylov state complexity for BMN matrix model
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Self-consistent plasmoid step upgrade makes HPI2 predictive for pellet fueling
Integrated full pulse modeling for pellet injection in tokamaks: HPI2 model improvement and validation in WEST
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Block-structured matrix multiplication speeds quantum chemistry by 10x
Accelerating Locality-Driven Integration in Quantum Chemistry with Block-Structured Matrix Multiplication
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Block-structured matmul speeds DFT integrals up to 10x on GPUs
Accelerating Locality-Driven Integration in Quantum Chemistry with Block-Structured Matrix Multiplication
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Constrained neural models clone density functionals self-consistently
Constraint-aware functional cloning for stable and transferable machine-learned density functional theory
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Monte Carlo data yields Simkin constant γ for N-queens
Statistical mechanics of the $N$-queens problem
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Monte Carlo data yields N-queens constant γ to high precision
Statistical mechanics of the $N$-queens problem
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Graph reordering cuts memory pressure in GPU integral evaluation
FusionRCG: Orchestrating Recursive Computation Graphs across GPU Memory Hierarchies
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Graph orchestration cuts GPU memory use for recursive integrals
FusionRCG: Orchestrating Recursive Computation Graphs across GPU Memory Hierarchies
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JAX tracing system unifies data and physics losses for neural operators
jNO: A JAX Library for Neural Operator and Foundation Model Training
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Neural networks prune ISAT trees to cut memory in flame simulations
Neural-ISAM: A hybrid in-situ machine learning approach for complex manifold-based combustion models in LES of turbulent flames
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O(M) algorithm computes Helmholtz Fourier modes independently of k
Fast Evaluation of the Azimuthal Fourier Modes of the 3D Helmholtz Green's Function and Their Derivatives