Reciprocal Space Attention for Learning Long-Range Interactions
Fuente:
arXiv
Saved in:
| Main Authors: | Ramasubramanian, Hariharan, Vazquez-Mayagoitia, Alvaro, Sivaraman, Ganesh, Thakur, Atul C. |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Neutron and X-ray Diffraction Reveal the Limits of Long-Range Machine Learning Potentials for Medium-Range Order in Silica Glass
by: Balantrapu, Sai Harshit, et al.
Published: (2026)
by: Balantrapu, Sai Harshit, et al.
Published: (2026)
Machine Learning Multiscale Interactions
by: Solé, Àlex, et al.
Published: (2026)
by: Solé, Àlex, et al.
Published: (2026)
Long-range electrostatics for machine learning interatomic potentials is easier than we thought
by: Kim, Dongjin, et al.
Published: (2025)
by: Kim, Dongjin, et al.
Published: (2025)
Active Learning for Generalizable Detonation Performance Prediction of Energetic Materials
by: Ullberg, R. Seaton, et al.
Published: (2026)
by: Ullberg, R. Seaton, et al.
Published: (2026)
Geometric Deep Learning for Molecular Crystal Structure Prediction
by: Kilgour, Michael, et al.
Published: (2023)
by: Kilgour, Michael, et al.
Published: (2023)
Learning local and semi-local density functionals from exact exchange-correlation potentials and energies
by: Kanungo, Bikash, et al.
Published: (2024)
by: Kanungo, Bikash, et al.
Published: (2024)
Long-Range Machine Learning of Electron Density for Twisted Bilayer Moiré Materials
by: Lou, Zekun, et al.
Published: (2026)
by: Lou, Zekun, et al.
Published: (2026)
Foundation Models for Discovery and Exploration in Chemical Space
by: Wadell, Alexius, et al.
Published: (2025)
by: Wadell, Alexius, et al.
Published: (2025)
Molecular Structure and Rotational Dynamics in the Acetonitrile:Acetylene (1:2) Plastic Co-Crystal at Titan Conditions
by: Thakur, Atul C., et al.
Published: (2024)
by: Thakur, Atul C., et al.
Published: (2024)
Learning Potential Energy Surfaces of Hydrogen Atom Transfer Reactions in Peptides
by: Neubert, Marlen, et al.
Published: (2025)
by: Neubert, Marlen, et al.
Published: (2025)
A Cartesian Encoding Graph Neural Network for Crystal Structures Property Prediction: Application to Thermal Ellipsoid Estimation
by: Solé, Àlex, et al.
Published: (2025)
by: Solé, Àlex, et al.
Published: (2025)
Delta-learned force fields for nonbonded interactions: Addressing the strength mismatch between covalent-nonbonded interaction for global models
by: Cázares-Trejo, Leonardo, et al.
Published: (2025)
by: Cázares-Trejo, Leonardo, et al.
Published: (2025)
Machine learning interatomic potential can infer electrical response
by: Zhong, Peichen, et al.
Published: (2025)
by: Zhong, Peichen, et al.
Published: (2025)
Two-dimensional RMSD projections for reaction path visualization and validation
by: Goswami, Rohit
Published: (2025)
by: Goswami, Rohit
Published: (2025)
Force-Free Molecular Dynamics Through Autoregressive Equivariant Networks
by: Thiemann, Fabian L., et al.
Published: (2025)
by: Thiemann, Fabian L., et al.
Published: (2025)
Coupled reaction and diffusion governing interface evolution in solid-state batteries
by: Ding, Jingxuan, et al.
Published: (2025)
by: Ding, Jingxuan, et al.
Published: (2025)
Adaptive Pruning for Increased Robustness and Reduced Computational Overhead in Gaussian Process Accelerated Saddle Point Searches
by: Goswami, Rohit, et al.
Published: (2025)
by: Goswami, Rohit, et al.
Published: (2025)
How unconstrained machine-learning models learn physical symmetries
by: Domina, Michelangelo, et al.
Published: (2026)
by: Domina, Michelangelo, et al.
Published: (2026)
LATTE: an atomic environment descriptor based on Cartesian tensor contractions
by: Pellegrini, Franco, et al.
Published: (2024)
by: Pellegrini, Franco, et al.
Published: (2024)
Latent Ewald summation for machine learning of long-range interactions
by: Cheng, Bingqing
Published: (2024)
by: Cheng, Bingqing
Published: (2024)
Enhanced Climbing Image Nudged Elastic Band method with Hessian Eigenmode Alignment
by: Goswami, Rohit, et al.
Published: (2026)
by: Goswami, Rohit, et al.
Published: (2026)
CrystalREPA: Transferring Physical Priors from Universal MLIPs to Crystal Generative Models
by: Zhang, Chengqian, et al.
Published: (2026)
by: Zhang, Chengqian, et al.
Published: (2026)
Polarizable atomic multipoles for learning long-range electrostatics
by: Kim, Dongjin, et al.
Published: (2026)
by: Kim, Dongjin, et al.
Published: (2026)
MBD-ML: Many-body dispersion from machine learning for molecules and materials
by: Moerman, Evgeny, et al.
Published: (2026)
by: Moerman, Evgeny, et al.
Published: (2026)
Global Plane Waves From Local Gaussians: Periodic Charge Densities in a Blink
by: Elsborg, Jonas, et al.
Published: (2026)
by: Elsborg, Jonas, et al.
Published: (2026)
QT-Net: Rethinking Evaluation of AI Models in Atomic Chemical Space
by: Crespo, Pablo Martínez, et al.
Published: (2026)
by: Crespo, Pablo Martínez, et al.
Published: (2026)
Structure of Molten FeCl2 and FeCl3
by: Bhuiyan, Fakhrul Hasan, et al.
Published: (2026)
by: Bhuiyan, Fakhrul Hasan, et al.
Published: (2026)
Spectral/Spatial Tensor Atomic Cluster Expansion with Universal Embeddings in Cartesian Space
by: Xu, Zemin, et al.
Published: (2025)
by: Xu, Zemin, et al.
Published: (2025)
Cutting Through the Noise: On-the-fly Outlier Detection for Robust Training of Machine Learning Interatomic Potentials
by: Lam, Terry C. W., et al.
Published: (2026)
by: Lam, Terry C. W., et al.
Published: (2026)
Advancing Universal Deep Learning for Electronic-Structure Hamiltonian Prediction of Materials
by: Yin, Shi, et al.
Published: (2025)
by: Yin, Shi, et al.
Published: (2025)
Transferable Learning of Reaction Pathways from Geometric Priors
by: Nam, Juno, et al.
Published: (2025)
by: Nam, Juno, et al.
Published: (2025)
Active Learning Enables Extrapolation in Molecular Generative Models
by: Antoniuk, Evan R., et al.
Published: (2025)
by: Antoniuk, Evan R., et al.
Published: (2025)
Learning the action for long-time-step simulations of molecular dynamics
by: Bigi, Filippo, et al.
Published: (2025)
by: Bigi, Filippo, et al.
Published: (2025)
Kernel Learning Assisted Synthesis Condition Exploration for Ternary Spinel
by: Liu, Yutong, et al.
Published: (2025)
by: Liu, Yutong, et al.
Published: (2025)
Learning from the electronic structure of molecules across the periodic table
by: Kaniselvan, Manasa, et al.
Published: (2025)
by: Kaniselvan, Manasa, et al.
Published: (2025)
Equivariant Machine Learning Interatomic Potentials with Global Charge Redistribution
by: Maruf, Moin Uddin, et al.
Published: (2025)
by: Maruf, Moin Uddin, et al.
Published: (2025)
Knowledge-Reuse Transfer Learning Methods in Molecular and Material Science
by: Chen, An, et al.
Published: (2024)
by: Chen, An, et al.
Published: (2024)
Leveraging Data Mining, Active Learning, and Domain Adaptation in a Multi-Stage, Machine Learning-Driven Approach for the Efficient Discovery of Advanced Acidic Oxygen Evolution Electrocatalysts
by: Ding, Rui, et al.
Published: (2024)
by: Ding, Rui, et al.
Published: (2024)
Learning simple heuristic rules for classifying materials based on chemical composition
by: Ma, Andrew, et al.
Published: (2025)
by: Ma, Andrew, et al.
Published: (2025)
Learning Ordering in Crystalline Materials with Symmetry-Aware Graph Neural Networks
by: Peng, Jiayu, et al.
Published: (2024)
by: Peng, Jiayu, et al.
Published: (2024)
Similar Items
-
Neutron and X-ray Diffraction Reveal the Limits of Long-Range Machine Learning Potentials for Medium-Range Order in Silica Glass
by: Balantrapu, Sai Harshit, et al.
Published: (2026) -
Machine Learning Multiscale Interactions
by: Solé, Àlex, et al.
Published: (2026) -
Long-range electrostatics for machine learning interatomic potentials is easier than we thought
by: Kim, Dongjin, et al.
Published: (2025) -
Active Learning for Generalizable Detonation Performance Prediction of Energetic Materials
by: Ullberg, R. Seaton, et al.
Published: (2026) -
Geometric Deep Learning for Molecular Crystal Structure Prediction
by: Kilgour, Michael, et al.
Published: (2023)