Cover Image

Allegro-FM: Towards Equivariant Foundation Model for Exascale Molecular Dynamics Simulations

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Nomura, Ken-ichi, Hattori, Shinnosuke, Ohmura, Satoshi, Kanemasu, Ikumi, Shimamura, Kohei, Dasgupta, Nabankur, Nakano, Aiichiro, Kalia, Rajiv K., Vashishta, Priya
Format:	Preprint
Published:	2025
Subjects:	Materials Science
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Beyond Scaling: Chemical Intuition as Emergent Ability of Universal Machine Learning Interatomic Potentials
by: Hattori, Shinnosuke, et al.
Published: (2025)

Emerging Ferroelectric Domains: Stacking and Rotational Landscape of MoS2 Moire Bilayers
by: Aditya, Anikeya, et al.
Published: (2025)

Thermal Conductivity Calculation using Homogeneous Non-equilibrium Molecular Dynamics Simulation with Allegro
by: Shimamura, Kohei, et al.
Published: (2024)

Generative AI-driven forecasting of oil production
by: Gandhi, Yash, et al.
Published: (2024)

Multiscale light-matter dynamics in quantum materials: from electrons to topological superlattices
by: Razakh, Taufeq Mohammed, et al.
Published: (2025)

Catalysis in Extreme Field Environments: The Case of Strongly Ionized $SiO_{2}$ Nanoparticle Surfaces
by: Linker, Thomas M., et al.
Published: (2024)

Pacific Island Women and Contested Sporting Spaces
by: Kanemasu, Yoko
Published: (2025)

Bending Deformation Driven by Molecular Rotation
by: Santos-Florez, Pedro A., et al.
Published: (2022)

Automated High-throughput Organic Crystal Structure Prediction via Population-based Sampling
by: Zhu, Qiang, et al.
Published: (2024)

Study of Entropy-Driven Polymorphic Stability for Aspirin Using Accurate Neural Network Interatomic Potential
by: Hattori, Shinnosuke, et al.
Published: (2024)

ALCo-FM: Adaptive Long-Context Foundation Model for Accident Prediction
by: Neogi, Pinaki Prasad Guha, et al.
Published: (2025)

Allegro non troppo
by: Bellano, Marco
Published: (2022)

Dynamical clock of the Helmi stream -- Analysis of the clumping of stars in the orbital frequency-space
by: Hattori, Kohei
Published: (2026)

Metallicity and $α$-abundance for 48 million stars in low-extinction regions in the Milky Way
by: Hattori, Kohei
Published: (2024)

TotalFM: An Organ-Separated Framework for 3D-CT Vision Foundation Models
by: Yamamoto, Kohei, et al.
Published: (2026)

American survey. Allegro furioso
Published: (1994)

Dynamics of Majorana Fermions on a Quantum Computer
by: Hang, Yuxiao, et al.
Published: (2025)

Syntactically-guided Information Maintenance in Sentence Comprehension
by: Isono, Shinnosuke, et al.
Published: (2026)

Flexocurrent-induced magnetization: Strain gradient-induced magnetization in time-reversal symmetric systems
by: Koyama, Shinnosuke, et al.
Published: (2026)

Quantification of Crystal Packing Similarity from Spherical Harmonic Transform
by: Zhu, Qiang, et al.
Published: (2022)

nomuhyooon/mmVelo: v1.0.1
by: Satoshi Nomura
Published: (2026)

Human-Centered AI in Multidisciplinary Medical Discussions: Evaluating the Feasibility of a Chat-Based Approach to Case Assessment
by: Sawano, Shinnosuke, et al.
Published: (2025)

Construction of Machine-Learning Interatomic Potential Under Heat Flux Regularization and Its Application to Power Spectrum Analysis for Silver Chalcogenides
by: Shimamura, Kohei, et al.
Published: (2022)

Alegre en "Allegro" Alegría de vivir
Published: (1998)

Equivariant sheaves on toric prevarieties
by: Dasgupta, Jyoti, et al.
Published: (2026)

Ground and Flight Locomotion for Two-Wheeled Drones via Model Predictive Path Integral Control
by: Kojima, Gosuke, et al.
Published: (2025)

PharMolixFM: All-Atom Foundation Models for Molecular Modeling and Generation
by: Luo, Yizhen, et al.
Published: (2025)

UBio-MolFM: A Universal Molecular Foundation Model for Bio-Systems
by: Huang, Lin, et al.
Published: (2026)

The Social Construction of Visualizations: Practitioner Challenges and Experiences of Visualizing Race and Gender Demographic Data
by: Dhawka, Priya, et al.
Published: (2025)

LAMMPS-KOKKOS: Performance Portable Molecular Dynamics Across Exascale Architectures
by: Johansson, Anders, et al.
Published: (2025)

Event-driven type design for clinical trials with recurrent events
by: Zhang, Jingwen, et al.
Published: (2026)

Semiparametric Piecewise Accelerated Failure Time Model for the Analysis of Immune-Oncology Clinical Trials
by: Sunami, Hisato, et al.
Published: (2024)

JFlow: Model-Independent Spherical Jeans Analysis using Equivariant Continuous Normalizing Flows
by: Lim, Sung Hak, et al.
Published: (2025)

ORBIT-2: Scaling Exascale Vision Foundation Models for Weather and Climate Downscaling
by: Wang, Xiao, et al.
Published: (2025)

Informativity of Data-Knowledge Pairs for Lyapunov Equations
by: Banno, Ikumi
Published: (2026)

Dermatofibrosarcoma Protuberans With a Novel FBN1::PDGFD Fusion: Expanding the Molecular Spectrum
by: Ken‐ichi Yoshida, et al.
Published: (2025)

PKDB81083
by: Ohmura, Atsumu
Published: (2000)

Dynamics of Symmetry-Protected Topological Matter on a Quantum Computer
by: Mercado, Miguel, et al.
Published: (2024)

Exascale Multi-Task Graph Foundation Models for Imbalanced, Multi-Fidelity Atomistic Data
by: Pasini, Massimiliano Lupo, et al.
Published: (2026)

Information-Theoretic Storage Cost in Sentence Comprehension
by: Kajikawa, Kohei, et al.
Published: (2026)