Multipole splats for optimized and inverted effective potentials
physics.chem-ph, physics.comp-ph, quant-ph
Submitted: 2026-09-08
Updated: 2026-09-22
Code: https://github.com/Matematija/multipole-splats
Terminology
Sources
- The Open Molecules 2025 (OMol25) Dataset, Evaluations, and Models
- A practical guide to machine learning interatomic potentials -- Status and future
- Nonlocal Machine-Learned Exchange Functional for Molecules and Solids
- Accurate and scalable exchange-correlation with deep learning
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- Ab-initio variational wave functions for the time-dependent many-electron Schr\"odinger equation
- Neural-network quantum states for many-body physics
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- Charge-Transfer in Time-Dependent Density Functional Theory
- ELECTRA: A Cartesian Network for 3D Charge Density Prediction with Floating Orbitals
- Global Plane Waves From Local Gaussians: Periodic Charge Densities in a Blink
- Scalar Curvature of the Quantum Exponential Family for the Transverse-Field Ising Model and the Quantum Phase Transition
- Green Function Monte Carlo with Stochastic Reconfiguration
- Quantum Natural Gradient
- 4D Gaussian Splatting for Real-Time Dynamic Scene Rendering
- Equinox: neural networks in JAX via callable PyTrees and filtered transformations
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- Scaling Machine Learning Interatomic Potentials with Mixtures of Experts
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